data_17518
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17518
_Entry.PDB_ID 2LAA
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 17518
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 GLY C C 421 174.167 174.167 175.196 -1.029 17518
2 1 1 . 1 1 2 2 GLY CA C 421 45.259 45.259 44.945 0.314 17518
3 1 1 . 1 1 3 3 THR N N 422 113.380 113.380 116.335 -2.955 17518
4 1 1 . 1 1 3 3 THR HA H 422 4.348 4.348 4.153 0.195 17518
5 1 1 . 1 1 3 3 THR C C 422 174.773 174.773 175.182 -0.409 17518
6 1 1 . 1 1 3 3 THR CA C 422 61.357 61.357 63.545 -2.188 17518
7 1 1 . 1 1 3 3 THR CB C 422 69.791 69.791 69.063 0.728 17518
8 1 1 . 1 1 3 3 THR H H 422 8.099 8.099 8.449 -0.350 17518
9 1 1 . 1 1 4 4 GLY N N 423 113.124 113.124 109.666 3.458 17518
10 1 1 . 1 1 4 4 GLY C C 423 173.909 173.909 173.390 0.519 17518
11 1 1 . 1 1 4 4 GLY CA C 423 45.058 45.058 44.994 0.064 17518
12 1 1 . 1 1 4 4 GLY H H 423 8.770 8.770 8.210 0.560 17518
13 1 1 . 1 1 5 5 ASN N N 424 121.226 121.226 119.347 1.879 17518
14 1 1 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.751 -0.177 17518
15 1 1 . 1 1 5 5 ASN C C 424 174.450 174.450 173.834 0.616 17518
16 1 1 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.255 0.982 17518
17 1 1 . 1 1 5 5 ASN CB C 424 38.520 38.520 41.934 -3.414 17518
18 1 1 . 1 1 5 5 ASN H H 424 8.988 8.988 8.530 0.458 17518
19 1 1 . 1 1 6 6 LYS N N 425 119.587 119.587 120.420 -0.833 17518
20 1 1 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.684 0.445 17518
21 1 1 . 1 1 6 6 LYS C C 425 176.281 176.281 174.658 1.623 17518
22 1 1 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.284 -0.890 17518
23 1 1 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.778 -0.330 17518
24 1 1 . 1 1 6 6 LYS H H 425 8.354 8.354 8.420 -0.066 17518
25 1 1 . 1 1 7 7 VAL N N 426 124.203 124.203 125.723 -1.520 17518
26 1 1 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.865 -0.403 17518
27 1 1 . 1 1 7 7 VAL C C 426 174.564 174.564 174.740 -0.176 17518
28 1 1 . 1 1 7 7 VAL CA C 426 61.369 61.369 61.434 -0.065 17518
29 1 1 . 1 1 7 7 VAL CB C 426 34.432 34.432 34.903 -0.471 17518
30 1 1 . 1 1 7 7 VAL H H 426 8.774 8.774 8.990 -0.216 17518
31 1 1 . 1 1 8 8 THR N N 427 125.363 125.363 124.370 0.993 17518
32 1 1 . 1 1 8 8 THR HA H 427 5.326 5.326 5.424 -0.098 17518
33 1 1 . 1 1 8 8 THR C C 427 173.108 173.108 173.281 -0.173 17518
34 1 1 . 1 1 8 8 THR CA C 427 61.752 61.752 61.465 0.287 17518
35 1 1 . 1 1 8 8 THR CB C 427 69.860 69.860 70.447 -0.587 17518
36 1 1 . 1 1 8 8 THR H H 427 8.851 8.851 9.142 -0.291 17518
37 1 1 . 1 1 9 9 ILE N N 428 127.015 127.015 126.539 0.476 17518
38 1 1 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.935 -0.279 17518
39 1 1 . 1 1 9 9 ILE C C 428 175.404 175.404 174.419 0.985 17518
40 1 1 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.231 -0.351 17518
41 1 1 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.920 1.271 17518
42 1 1 . 1 1 9 9 ILE H H 428 8.628 8.628 9.225 -0.597 17518
43 1 1 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.439 -0.270 17518
44 1 1 . 1 1 10 10 TYR C C 429 174.161 174.161 175.012 -0.851 17518
45 1 1 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.320 2.931 17518
46 1 1 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.202 1.181 17518
47 1 1 . 1 1 10 10 TYR H H 429 9.069 9.069 9.234 -0.165 17518
48 1 1 . 1 1 11 11 TYR N N 430 125.905 125.905 126.341 -0.436 17518
49 1 1 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.694 -0.704 17518
50 1 1 . 1 1 11 11 TYR C C 430 173.359 173.359 174.221 -0.862 17518
51 1 1 . 1 1 11 11 TYR CA C 430 56.630 56.630 54.085 2.545 17518
52 1 1 . 1 1 11 11 TYR CB C 430 42.942 42.942 42.084 0.858 17518
53 1 1 . 1 1 11 11 TYR H H 430 9.500 9.500 8.908 0.592 17518
54 1 1 . 1 1 12 12 LYS N N 431 131.688 131.688 126.456 5.232 17518
55 1 1 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.472 0.890 17518
56 1 1 . 1 1 12 12 LYS C C 431 172.929 172.929 174.729 -1.800 17518
57 1 1 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.277 0.590 17518
58 1 1 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.311 0.860 17518
59 1 1 . 1 1 12 12 LYS H H 431 8.410 8.410 8.207 0.203 17518
60 1 1 . 1 1 13 13 LYS N N 432 125.124 125.124 126.119 -0.995 17518
61 1 1 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.796 0.076 17518
62 1 1 . 1 1 13 13 LYS C C 432 180.107 180.107 176.150 3.957 17518
63 1 1 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.129 -3.621 17518
64 1 1 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.069 -0.415 17518
65 1 1 . 1 1 14 14 GLY N N 433 112.761 112.761 112.073 0.688 17518
66 1 1 . 1 1 14 14 GLY C C 433 174.180 174.180 174.155 0.025 17518
67 1 1 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.459 0.883 17518
68 1 1 . 1 1 14 14 GLY H H 433 7.585 7.585 8.304 -0.719 17518
69 1 1 . 1 1 15 15 PHE N N 434 121.529 121.529 118.458 3.071 17518
70 1 1 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.628 0.063 17518
71 1 1 . 1 1 15 15 PHE C C 434 175.899 175.899 175.019 0.880 17518
72 1 1 . 1 1 15 15 PHE CA C 434 57.157 57.157 58.932 -1.775 17518
73 1 1 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.359 -1.887 17518
74 1 1 . 1 1 15 15 PHE H H 434 8.454 8.454 8.077 0.377 17518
75 1 1 . 1 1 16 16 ASN N N 435 117.583 117.583 113.771 3.812 17518
76 1 1 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.614 -0.215 17518
77 1 1 . 1 1 16 16 ASN C C 435 176.259 176.259 174.410 1.849 17518
78 1 1 . 1 1 16 16 ASN CA C 435 56.521 56.521 54.149 2.372 17518
79 1 1 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.122 1.244 17518
80 1 1 . 1 1 16 16 ASN H H 435 8.513 8.513 8.658 -0.145 17518
81 1 1 . 1 1 17 17 SER N N 436 112.889 112.889 116.855 -3.966 17518
82 1 1 . 1 1 17 17 SER HA H 436 4.798 4.798 5.067 -0.269 17518
83 1 1 . 1 1 17 17 SER C C 436 171.151 171.151 171.893 -0.742 17518
84 1 1 . 1 1 17 17 SER CA C 436 53.721 53.721 56.472 -2.751 17518
85 1 1 . 1 1 17 17 SER CB C 436 63.834 63.834 64.201 -0.367 17518
86 1 1 . 1 1 17 17 SER H H 436 8.315 8.315 8.459 -0.144 17518
87 1 1 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.204 0.358 17518
88 1 1 . 1 1 18 18 PRO C C 437 175.812 175.812 175.762 0.050 17518
89 1 1 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.367 0.250 17518
90 1 1 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.736 0.038 17518
91 1 1 . 1 1 19 19 TYR N N 438 122.060 122.060 119.420 2.640 17518
92 1 1 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.866 -0.036 17518
93 1 1 . 1 1 19 19 TYR C C 438 174.732 174.732 174.766 -0.034 17518
94 1 1 . 1 1 19 19 TYR CA C 438 56.729 56.729 55.068 1.661 17518
95 1 1 . 1 1 19 19 TYR CB C 438 40.758 40.758 40.801 -0.043 17518
96 1 1 . 1 1 19 19 TYR H H 438 9.072 9.072 8.671 0.401 17518
97 1 1 . 1 1 20 20 ILE N N 439 118.018 118.018 120.507 -2.489 17518
98 1 1 . 1 1 20 20 ILE HA H 439 4.988 4.988 5.060 -0.072 17518
99 1 1 . 1 1 20 20 ILE C C 439 171.341 171.341 174.458 -3.117 17518
100 1 1 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.223 -0.650 17518
101 1 1 . 1 1 20 20 ILE CB C 439 41.658 41.658 40.942 0.716 17518
102 1 1 . 1 1 20 20 ILE H H 439 9.164 9.164 9.195 -0.031 17518
103 1 1 . 1 1 21 21 HIS N N 440 133.346 133.346 130.628 2.718 17518
104 1 1 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.794 0.581 17518
105 1 1 . 1 1 21 21 HIS C C 440 174.947 174.947 173.655 1.292 17518
106 1 1 . 1 1 21 21 HIS CA C 440 53.801 53.801 53.888 -0.087 17518
107 1 1 . 1 1 21 21 HIS CB C 440 35.001 35.001 31.422 3.579 17518
108 1 1 . 1 1 21 21 HIS H H 440 8.843 8.843 8.501 0.342 17518
109 1 1 . 1 1 22 22 TYR N N 441 121.863 121.863 123.141 -1.278 17518
110 1 1 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.783 0.274 17518
111 1 1 . 1 1 22 22 TYR C C 441 173.567 173.567 173.519 0.048 17518
112 1 1 . 1 1 22 22 TYR CA C 441 56.693 56.693 54.943 1.750 17518
113 1 1 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.912 0.884 17518
114 1 1 . 1 1 22 22 TYR H H 441 8.231 8.231 7.953 0.278 17518
115 1 1 . 1 1 23 23 ARG N N 442 116.788 116.788 121.031 -4.243 17518
116 1 1 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.777 -0.146 17518
117 1 1 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.645 -0.285 17518
118 1 1 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.441 -1.127 17518
119 1 1 . 1 1 23 23 ARG H H 442 8.456 8.456 9.041 -0.585 17518
120 1 1 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.501 0.006 17518
121 1 1 . 1 1 24 24 PRO C C 443 176.258 176.258 175.890 0.368 17518
122 1 1 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.957 0.287 17518
123 1 1 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.277 -0.080 17518
124 1 1 . 1 1 25 25 ALA N N 444 125.666 125.666 126.059 -0.393 17518
125 1 1 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.919 0.039 17518
126 1 1 . 1 1 25 25 ALA C C 444 179.221 179.221 177.583 1.638 17518
127 1 1 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.349 0.831 17518
128 1 1 . 1 1 25 25 ALA CB C 444 18.420 18.420 18.128 0.292 17518
129 1 1 . 1 1 25 25 ALA H H 444 8.230 8.230 8.260 -0.030 17518
130 1 1 . 1 1 26 26 GLY N N 445 112.217 112.217 110.025 2.192 17518
131 1 1 . 1 1 26 26 GLY C C 445 174.734 174.734 174.261 0.473 17518
132 1 1 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.660 1.002 17518
133 1 1 . 1 1 26 26 GLY H H 445 8.591 8.591 8.124 0.467 17518
134 1 1 . 1 1 27 27 GLY N N 446 109.489 109.489 108.165 1.324 17518
135 1 1 . 1 1 27 27 GLY C C 446 173.379 173.379 172.669 0.710 17518
136 1 1 . 1 1 27 27 GLY CA C 446 44.117 44.117 43.963 0.154 17518
137 1 1 . 1 1 27 27 GLY H H 446 8.380 8.380 8.380 -0.000 17518
138 1 1 . 1 1 28 28 SER N N 447 117.275 117.275 114.696 2.579 17518
139 1 1 . 1 1 28 28 SER HA H 447 4.637 4.637 4.527 0.110 17518
140 1 1 . 1 1 28 28 SER C C 447 173.759 173.759 173.711 0.048 17518
141 1 1 . 1 1 28 28 SER CA C 447 57.410 57.410 57.589 -0.179 17518
142 1 1 . 1 1 28 28 SER CB C 447 65.022 65.022 65.241 -0.219 17518
143 1 1 . 1 1 28 28 SER H H 447 8.585 8.585 8.278 0.307 17518
144 1 1 . 1 1 29 29 TRP N N 448 123.426 123.426 122.416 1.010 17518
145 1 1 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.517 -0.124 17518
146 1 1 . 1 1 29 29 TRP C C 448 178.997 178.997 177.357 1.640 17518
147 1 1 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.839 0.327 17518
148 1 1 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.038 0.568 17518
149 1 1 . 1 1 29 29 TRP H H 448 8.346 8.346 8.549 -0.203 17518
150 1 1 . 1 1 30 30 THR N N 449 111.168 111.168 114.244 -3.076 17518
151 1 1 . 1 1 30 30 THR HA H 449 3.978 3.978 4.390 -0.412 17518
152 1 1 . 1 1 30 30 THR C C 449 174.707 174.707 173.804 0.903 17518
153 1 1 . 1 1 30 30 THR CA C 449 61.317 61.317 61.439 -0.122 17518
154 1 1 . 1 1 30 30 THR CB C 449 70.526 70.526 69.801 0.725 17518
155 1 1 . 1 1 30 30 THR H H 449 7.888 7.888 8.502 -0.614 17518
156 1 1 . 1 1 31 31 ALA N N 450 122.982 122.982 124.326 -1.344 17518
157 1 1 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.208 0.191 17518
158 1 1 . 1 1 31 31 ALA C C 450 178.443 178.443 176.492 1.951 17518
159 1 1 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.770 0.114 17518
160 1 1 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.035 0.026 17518
161 1 1 . 1 1 31 31 ALA H H 450 8.383 8.383 8.414 -0.031 17518
162 1 1 . 1 1 32 32 ALA N N 451 129.780 129.780 127.167 2.613 17518
163 1 1 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.021 -0.163 17518
164 1 1 . 1 1 32 32 ALA C C 451 175.997 175.997 175.825 0.172 17518
165 1 1 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.562 1.248 17518
166 1 1 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.657 -2.411 17518
167 1 1 . 1 1 32 32 ALA H H 451 8.778 8.778 7.862 0.916 17518
168 1 1 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.409 -0.565 17518
169 1 1 . 1 1 33 33 PRO C C 452 173.297 173.297 176.751 -3.454 17518
170 1 1 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.339 1.393 17518
171 1 1 . 1 1 33 33 PRO CB C 452 33.646 33.646 32.197 1.449 17518
172 1 1 . 1 1 34 34 GLY N N 453 112.150 112.150 112.406 -0.256 17518
173 1 1 . 1 1 34 34 GLY C C 453 174.011 174.011 173.304 0.707 17518
174 1 1 . 1 1 34 34 GLY CA C 453 43.995 43.995 45.324 -1.329 17518
175 1 1 . 1 1 34 34 GLY H H 453 8.685 8.685 7.141 1.544 17518
176 1 1 . 1 1 35 35 VAL N N 454 123.276 123.276 119.355 3.921 17518
177 1 1 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.185 0.161 17518
178 1 1 . 1 1 35 35 VAL C C 454 174.782 174.782 175.182 -0.400 17518
179 1 1 . 1 1 35 35 VAL CA C 454 60.959 60.959 59.934 1.025 17518
180 1 1 . 1 1 35 35 VAL CB C 454 34.857 34.857 35.305 -0.448 17518
181 1 1 . 1 1 35 35 VAL H H 454 9.287 9.287 8.509 0.778 17518
182 1 1 . 1 1 36 36 LYS N N 455 128.135 128.135 128.828 -0.693 17518
183 1 1 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.515 -1.454 17518
184 1 1 . 1 1 36 36 LYS C C 455 176.438 176.438 176.210 0.228 17518
185 1 1 . 1 1 36 36 LYS CA C 455 57.223 57.223 57.423 -0.200 17518
186 1 1 . 1 1 36 36 LYS CB C 455 32.619 32.619 32.420 0.199 17518
187 1 1 . 1 1 36 36 LYS H H 455 8.443 8.443 8.447 -0.004 17518
188 1 1 . 1 1 37 37 MET N N 456 124.850 124.850 127.533 -2.683 17518
189 1 1 . 1 1 37 37 MET HA H 456 4.207 4.207 4.374 -0.167 17518
190 1 1 . 1 1 37 37 MET C C 456 175.590 175.590 176.569 -0.979 17518
191 1 1 . 1 1 37 37 MET CA C 456 56.409 56.409 56.980 -0.571 17518
192 1 1 . 1 1 37 37 MET CB C 456 34.978 34.978 32.639 2.339 17518
193 1 1 . 1 1 37 37 MET H H 456 8.121 8.121 8.442 -0.321 17518
194 1 1 . 1 1 38 38 GLN N N 457 121.555 121.555 122.335 -0.780 17518
195 1 1 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.217 0.176 17518
196 1 1 . 1 1 38 38 GLN C C 457 175.737 175.737 175.287 0.450 17518
197 1 1 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.672 -1.889 17518
198 1 1 . 1 1 38 38 GLN CB C 457 30.307 30.307 29.162 1.145 17518
199 1 1 . 1 1 38 38 GLN H H 457 8.441 8.441 8.881 -0.440 17518
200 1 1 . 1 1 39 39 ASP N N 458 121.629 121.629 117.475 4.154 17518
201 1 1 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.731 -0.000 17518
202 1 1 . 1 1 39 39 ASP C C 458 176.733 176.733 175.167 1.566 17518
203 1 1 . 1 1 39 39 ASP CA C 458 56.257 56.257 53.919 2.338 17518
204 1 1 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.975 -0.617 17518
205 1 1 . 1 1 39 39 ASP H H 458 8.720 8.720 8.483 0.237 17518
206 1 1 . 1 1 40 40 ALA N N 459 122.646 122.646 125.210 -2.564 17518
207 1 1 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.628 -0.336 17518
208 1 1 . 1 1 40 40 ALA C C 459 175.201 175.201 177.769 -2.568 17518
209 1 1 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.129 0.427 17518
210 1 1 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.812 2.136 17518
211 1 1 . 1 1 40 40 ALA H H 459 8.423 8.423 8.749 -0.326 17518
212 1 1 . 1 1 41 41 GLU N N 460 120.190 120.190 126.290 -6.100 17518
213 1 1 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.921 0.386 17518
214 1 1 . 1 1 41 41 GLU C C 460 174.722 174.722 177.738 -3.016 17518
215 1 1 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.399 -0.880 17518
216 1 1 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.132 -1.796 17518
217 1 1 . 1 1 41 41 GLU H H 460 10.341 10.341 8.877 1.464 17518
218 1 1 . 1 1 42 42 ILE N N 461 119.473 119.473 118.367 1.106 17518
219 1 1 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.663 0.648 17518
220 1 1 . 1 1 42 42 ILE C C 461 174.959 174.959 176.308 -1.349 17518
221 1 1 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.436 -4.470 17518
222 1 1 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.042 2.703 17518
223 1 1 . 1 1 42 42 ILE H H 461 6.466 6.466 7.789 -1.323 17518
224 1 1 . 1 1 43 43 SER N N 462 121.292 121.292 111.169 10.123 17518
225 1 1 . 1 1 43 43 SER HA H 462 4.297 4.297 4.490 -0.193 17518
226 1 1 . 1 1 43 43 SER C C 462 175.624 175.624 173.949 1.675 17518
227 1 1 . 1 1 43 43 SER CA C 462 60.112 60.112 58.651 1.461 17518
228 1 1 . 1 1 43 43 SER CB C 462 63.116 63.116 63.063 0.053 17518
229 1 1 . 1 1 43 43 SER H H 462 8.584 8.584 7.598 0.986 17518
230 1 1 . 1 1 44 44 GLY N N 463 111.896 111.896 107.688 4.208 17518
231 1 1 . 1 1 44 44 GLY C C 463 173.823 173.823 172.787 1.036 17518
232 1 1 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.464 -0.585 17518
233 1 1 . 1 1 44 44 GLY H H 463 8.623 8.623 7.963 0.660 17518
234 1 1 . 1 1 45 45 TYR N N 464 116.379 116.379 119.801 -3.422 17518
235 1 1 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.746 0.952 17518
236 1 1 . 1 1 45 45 TYR C C 464 175.693 175.693 173.345 2.348 17518
237 1 1 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.497 0.115 17518
238 1 1 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.495 -0.570 17518
239 1 1 . 1 1 45 45 TYR H H 464 7.803 7.803 8.083 -0.280 17518
240 1 1 . 1 1 46 46 ALA N N 465 126.206 126.206 119.945 6.261 17518
241 1 1 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.366 -0.029 17518
242 1 1 . 1 1 46 46 ALA C C 465 176.129 176.129 175.655 0.474 17518
243 1 1 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.831 0.625 17518
244 1 1 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.249 2.097 17518
245 1 1 . 1 1 46 46 ALA H H 465 9.910 9.910 9.170 0.740 17518
246 1 1 . 1 1 47 47 LYS N N 466 120.226 120.226 120.000 0.226 17518
247 1 1 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.384 0.288 17518
248 1 1 . 1 1 47 47 LYS C C 466 173.880 173.880 174.792 -0.912 17518
249 1 1 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.264 0.142 17518
250 1 1 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.709 0.451 17518
251 1 1 . 1 1 47 47 LYS H H 466 9.373 9.373 8.391 0.982 17518
252 1 1 . 1 1 48 48 ILE N N 467 120.505 120.505 121.514 -1.009 17518
253 1 1 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.555 -0.152 17518
254 1 1 . 1 1 48 48 ILE C C 467 171.247 171.247 173.442 -2.195 17518
255 1 1 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.851 -0.469 17518
256 1 1 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.680 -0.146 17518
257 1 1 . 1 1 48 48 ILE H H 467 8.085 8.085 8.858 -0.773 17518
258 1 1 . 1 1 49 49 THR N N 468 122.247 122.247 125.487 -3.240 17518
259 1 1 . 1 1 49 49 THR HA H 468 5.301 5.301 5.373 -0.072 17518
260 1 1 . 1 1 49 49 THR C C 468 173.694 173.694 173.333 0.361 17518
261 1 1 . 1 1 49 49 THR CA C 468 61.871 61.871 61.225 0.646 17518
262 1 1 . 1 1 49 49 THR CB C 468 70.649 70.649 70.600 0.049 17518
263 1 1 . 1 1 49 49 THR H H 468 7.954 7.954 8.354 -0.400 17518
264 1 1 . 1 1 50 50 VAL N N 469 126.076 126.076 125.189 0.887 17518
265 1 1 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.110 0.001 17518
266 1 1 . 1 1 50 50 VAL C C 469 173.826 173.826 174.093 -0.267 17518
267 1 1 . 1 1 50 50 VAL CA C 469 60.199 60.199 59.573 0.626 17518
268 1 1 . 1 1 50 50 VAL CB C 469 35.049 35.049 34.773 0.276 17518
269 1 1 . 1 1 50 50 VAL H H 469 9.242 9.242 9.042 0.200 17518
270 1 1 . 1 1 51 51 ASP N N 470 126.346 126.346 125.276 1.070 17518
271 1 1 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.766 0.147 17518
272 1 1 . 1 1 51 51 ASP C C 470 177.013 177.013 176.207 0.806 17518
273 1 1 . 1 1 51 51 ASP CA C 470 53.014 53.014 53.659 -0.645 17518
274 1 1 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.051 -0.132 17518
275 1 1 . 1 1 51 51 ASP H H 470 8.476 8.476 8.544 -0.068 17518
276 1 1 . 1 1 52 52 ILE N N 471 118.935 118.935 117.392 1.543 17518
277 1 1 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.594 -0.056 17518
278 1 1 . 1 1 52 52 ILE C C 471 176.991 176.991 176.118 0.873 17518
279 1 1 . 1 1 52 52 ILE CA C 471 59.992 59.992 59.708 0.284 17518
280 1 1 . 1 1 52 52 ILE CB C 471 38.002 38.002 38.973 -0.971 17518
281 1 1 . 1 1 52 52 ILE H H 471 8.728 8.728 8.252 0.476 17518
282 1 1 . 1 1 53 53 GLY N N 472 114.498 114.498 110.235 4.263 17518
283 1 1 . 1 1 53 53 GLY C C 472 174.971 174.971 174.132 0.839 17518
284 1 1 . 1 1 53 53 GLY CA C 472 47.668 47.668 46.837 0.831 17518
285 1 1 . 1 1 53 53 GLY H H 472 9.078 9.078 9.498 -0.420 17518
286 1 1 . 1 1 54 54 SER N N 473 120.546 120.546 116.455 4.091 17518
287 1 1 . 1 1 54 54 SER HA H 473 4.426 4.426 4.250 0.176 17518
288 1 1 . 1 1 54 54 SER C C 473 174.975 174.975 172.825 2.150 17518
289 1 1 . 1 1 54 54 SER CA C 473 58.417 58.417 58.298 0.118 17518
290 1 1 . 1 1 54 54 SER CB C 473 63.632 63.632 63.612 0.020 17518
291 1 1 . 1 1 54 54 SER H H 473 8.808 8.808 8.588 0.220 17518
292 1 1 . 1 1 55 55 ALA N N 474 125.402 125.402 124.325 1.077 17518
293 1 1 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.737 -0.371 17518
294 1 1 . 1 1 55 55 ALA C C 474 176.116 176.116 176.174 -0.058 17518
295 1 1 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.133 1.239 17518
296 1 1 . 1 1 55 55 ALA CB C 474 20.315 20.315 20.828 -0.513 17518
297 1 1 . 1 1 55 55 ALA H H 474 7.738 7.738 8.067 -0.329 17518
298 1 1 . 1 1 56 56 SER N N 475 110.149 110.149 116.887 -6.738 17518
299 1 1 . 1 1 56 56 SER HA H 475 4.539 4.539 4.412 0.127 17518
300 1 1 . 1 1 56 56 SER C C 475 173.662 173.662 173.797 -0.135 17518
301 1 1 . 1 1 56 56 SER CA C 475 58.121 58.121 60.054 -1.933 17518
302 1 1 . 1 1 56 56 SER CB C 475 65.000 65.000 63.692 1.308 17518
303 1 1 . 1 1 56 56 SER H H 475 8.756 8.756 8.692 0.064 17518
304 1 1 . 1 1 57 57 GLN N N 476 117.023 117.023 116.452 0.571 17518
305 1 1 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.715 0.343 17518
306 1 1 . 1 1 57 57 GLN C C 476 173.042 173.042 173.276 -0.234 17518
307 1 1 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.128 -0.904 17518
308 1 1 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.693 -0.084 17518
309 1 1 . 1 1 57 57 GLN H H 476 7.139 7.139 7.433 -0.294 17518
310 1 1 . 1 1 58 58 LEU N N 477 121.156 121.156 121.148 0.008 17518
311 1 1 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.001 -0.255 17518
312 1 1 . 1 1 58 58 LEU C C 477 173.922 173.922 174.133 -0.211 17518
313 1 1 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.237 -0.729 17518
314 1 1 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.679 0.601 17518
315 1 1 . 1 1 58 58 LEU H H 477 9.149 9.149 9.294 -0.145 17518
316 1 1 . 1 1 59 59 GLU N N 478 126.375 126.375 123.651 2.724 17518
317 1 1 . 1 1 59 59 GLU HA H 478 5.356 5.356 4.969 0.387 17518
318 1 1 . 1 1 59 59 GLU C C 478 175.481 175.481 175.298 0.183 17518
319 1 1 . 1 1 59 59 GLU CA C 478 54.597 54.597 55.168 -0.571 17518
320 1 1 . 1 1 59 59 GLU CB C 478 32.759 32.759 32.751 0.008 17518
321 1 1 . 1 1 59 59 GLU H H 478 8.558 8.558 9.045 -0.487 17518
322 1 1 . 1 1 60 60 ALA N N 479 124.321 124.321 124.842 -0.521 17518
323 1 1 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.723 0.069 17518
324 1 1 . 1 1 60 60 ALA C C 479 174.955 174.955 175.254 -0.299 17518
325 1 1 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.607 0.534 17518
326 1 1 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.749 1.345 17518
327 1 1 . 1 1 60 60 ALA H H 479 9.614 9.614 8.446 1.168 17518
328 1 1 . 1 1 61 61 ALA N N 480 120.954 120.954 121.420 -0.466 17518
329 1 1 . 1 1 61 61 ALA HA H 480 4.794 4.794 4.897 -0.103 17518
330 1 1 . 1 1 61 61 ALA C C 480 174.782 174.782 174.972 -0.190 17518
331 1 1 . 1 1 61 61 ALA CA C 480 51.257 51.257 51.189 0.068 17518
332 1 1 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.470 0.744 17518
333 1 1 . 1 1 61 61 ALA H H 480 9.346 9.346 8.514 0.832 17518
334 1 1 . 1 1 62 62 PHE N N 481 117.021 117.021 122.493 -5.472 17518
335 1 1 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.972 0.912 17518
336 1 1 . 1 1 62 62 PHE C C 481 175.044 175.044 173.284 1.760 17518
337 1 1 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.109 1.479 17518
338 1 1 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.626 0.637 17518
339 1 1 . 1 1 62 62 PHE H H 481 8.351 8.351 8.916 -0.565 17518
340 1 1 . 1 1 63 63 ASN N N 482 116.362 116.362 123.056 -6.694 17518
341 1 1 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.488 0.620 17518
342 1 1 . 1 1 63 63 ASN C C 482 172.088 172.088 174.076 -1.988 17518
343 1 1 . 1 1 63 63 ASN CA C 482 53.710 53.710 52.168 1.542 17518
344 1 1 . 1 1 63 63 ASN CB C 482 41.348 41.348 41.873 -0.525 17518
345 1 1 . 1 1 63 63 ASN H H 482 9.077 9.077 8.390 0.687 17518
346 1 1 . 1 1 64 64 ASP N N 483 118.002 118.002 121.322 -3.320 17518
347 1 1 . 1 1 64 64 ASP HA H 483 4.184 4.184 3.903 0.281 17518
348 1 1 . 1 1 64 64 ASP C C 483 177.271 177.271 176.966 0.305 17518
349 1 1 . 1 1 64 64 ASP CA C 483 52.301 52.301 53.920 -1.619 17518
350 1 1 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.499 1.388 17518
351 1 1 . 1 1 64 64 ASP H H 483 7.482 7.482 8.055 -0.573 17518
352 1 1 . 1 1 65 65 GLY N N 484 110.602 110.602 108.184 2.418 17518
353 1 1 . 1 1 65 65 GLY C C 484 173.156 173.156 174.165 -1.009 17518
354 1 1 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.401 0.214 17518
355 1 1 . 1 1 65 65 GLY H H 484 8.696 8.696 7.688 1.008 17518
356 1 1 . 1 1 66 66 ASN N N 485 120.867 120.867 118.914 1.953 17518
357 1 1 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.596 0.108 17518
358 1 1 . 1 1 66 66 ASN C C 485 174.442 174.442 174.884 -0.442 17518
359 1 1 . 1 1 66 66 ASN CA C 485 52.311 52.311 55.234 -2.923 17518
360 1 1 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.018 0.473 17518
361 1 1 . 1 1 66 66 ASN H H 485 8.371 8.371 8.349 0.022 17518
362 1 1 . 1 1 67 67 ASN N N 486 113.518 113.518 114.969 -1.451 17518
363 1 1 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.919 -0.741 17518
364 1 1 . 1 1 67 67 ASN C C 486 173.845 173.845 173.558 0.287 17518
365 1 1 . 1 1 67 67 ASN CA C 486 54.486 54.486 52.999 1.487 17518
366 1 1 . 1 1 67 67 ASN CB C 486 38.267 38.267 40.747 -2.480 17518
367 1 1 . 1 1 67 67 ASN H H 486 8.700 8.700 8.384 0.316 17518
368 1 1 . 1 1 68 68 ASN N N 487 118.464 118.464 120.007 -1.543 17518
369 1 1 . 1 1 68 68 ASN HA H 487 5.058 5.058 5.139 -0.081 17518
370 1 1 . 1 1 68 68 ASN C C 487 173.449 173.449 173.513 -0.064 17518
371 1 1 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.812 0.456 17518
372 1 1 . 1 1 68 68 ASN CB C 487 38.813 38.813 40.474 -1.661 17518
373 1 1 . 1 1 68 68 ASN H H 487 7.975 7.975 8.687 -0.712 17518
374 1 1 . 1 1 69 69 TRP N N 488 120.817 120.817 122.132 -1.315 17518
375 1 1 . 1 1 69 69 TRP HA H 488 4.822 4.822 5.007 -0.185 17518
376 1 1 . 1 1 69 69 TRP C C 488 176.268 176.268 175.612 0.656 17518
377 1 1 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.374 1.804 17518
378 1 1 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.831 0.501 17518
379 1 1 . 1 1 69 69 TRP H H 488 8.771 8.771 8.632 0.139 17518
380 1 1 . 1 1 70 70 ASP N N 489 122.179 122.179 119.655 2.524 17518
381 1 1 . 1 1 70 70 ASP HA H 489 5.196 5.196 4.992 0.204 17518
382 1 1 . 1 1 70 70 ASP C C 489 175.441 175.441 174.212 1.229 17518
383 1 1 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.804 -1.460 17518
384 1 1 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.318 -1.350 17518
385 1 1 . 1 1 70 70 ASP H H 489 9.795 9.795 9.088 0.707 17518
386 1 1 . 1 1 71 71 SER N N 490 117.314 117.314 118.982 -1.668 17518
387 1 1 . 1 1 71 71 SER HA H 490 5.084 5.084 4.473 0.611 17518
388 1 1 . 1 1 71 71 SER C C 490 175.277 175.277 173.791 1.486 17518
389 1 1 . 1 1 71 71 SER CA C 490 56.099 56.099 57.065 -0.966 17518
390 1 1 . 1 1 71 71 SER CB C 490 66.550 66.550 65.387 1.163 17518
391 1 1 . 1 1 71 71 SER H H 490 9.238 9.238 8.449 0.789 17518
392 1 1 . 1 1 72 72 ASN N N 491 122.911 122.911 125.803 -2.892 17518
393 1 1 . 1 1 72 72 ASN HA H 491 4.367 4.367 3.862 0.505 17518
394 1 1 . 1 1 72 72 ASN C C 491 176.857 176.857 175.021 1.836 17518
395 1 1 . 1 1 72 72 ASN CA C 491 53.192 53.192 54.142 -0.950 17518
396 1 1 . 1 1 72 72 ASN CB C 491 35.574 35.574 37.683 -2.109 17518
397 1 1 . 1 1 72 72 ASN H H 491 8.536 8.536 7.382 1.154 17518
398 1 1 . 1 1 73 73 ASN N N 492 116.146 116.146 113.980 2.166 17518
399 1 1 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.444 -0.059 17518
400 1 1 . 1 1 73 73 ASN C C 492 176.335 176.335 174.285 2.050 17518
401 1 1 . 1 1 73 73 ASN CA C 492 54.488 54.488 55.873 -1.385 17518
402 1 1 . 1 1 73 73 ASN CB C 492 37.331 37.331 37.887 -0.556 17518
403 1 1 . 1 1 73 73 ASN H H 492 9.086 9.086 8.661 0.425 17518
404 1 1 . 1 1 74 74 THR N N 493 110.420 110.420 113.636 -3.216 17518
405 1 1 . 1 1 74 74 THR HA H 493 3.779 3.779 4.300 -0.521 17518
406 1 1 . 1 1 74 74 THR C C 493 173.194 173.194 173.112 0.082 17518
407 1 1 . 1 1 74 74 THR CA C 493 65.027 65.027 63.002 2.025 17518
408 1 1 . 1 1 74 74 THR CB C 493 69.730 69.730 68.709 1.021 17518
409 1 1 . 1 1 74 74 THR H H 493 7.782 7.782 7.784 -0.002 17518
410 1 1 . 1 1 75 75 LYS N N 494 121.968 121.968 120.622 1.346 17518
411 1 1 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.434 -0.367 17518
412 1 1 . 1 1 75 75 LYS C C 494 177.470 177.470 174.110 3.360 17518
413 1 1 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.575 1.434 17518
414 1 1 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.446 -2.860 17518
415 1 1 . 1 1 75 75 LYS H H 494 7.652 7.652 8.628 -0.976 17518
416 1 1 . 1 1 76 76 ASN N N 495 108.525 108.525 114.162 -5.637 17518
417 1 1 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.527 -0.597 17518
418 1 1 . 1 1 76 76 ASN C C 495 172.085 172.085 173.581 -1.496 17518
419 1 1 . 1 1 76 76 ASN CA C 495 54.413 54.413 53.004 1.409 17518
420 1 1 . 1 1 76 76 ASN CB C 495 39.048 39.048 38.731 0.317 17518
421 1 1 . 1 1 76 76 ASN H H 495 8.197 8.197 7.707 0.490 17518
422 1 1 . 1 1 77 77 TYR N N 496 118.076 118.076 121.431 -3.355 17518
423 1 1 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.601 0.192 17518
424 1 1 . 1 1 77 77 TYR C C 496 175.074 175.074 175.549 -0.475 17518
425 1 1 . 1 1 77 77 TYR CA C 496 57.671 57.671 58.056 -0.385 17518
426 1 1 . 1 1 77 77 TYR CB C 496 41.785 41.785 39.945 1.840 17518
427 1 1 . 1 1 77 77 TYR H H 496 9.133 9.133 8.520 0.613 17518
428 1 1 . 1 1 78 78 SER N N 497 116.400 116.400 114.911 1.489 17518
429 1 1 . 1 1 78 78 SER HA H 497 5.345 5.345 4.602 0.743 17518
430 1 1 . 1 1 78 78 SER C C 497 173.130 173.130 172.944 0.186 17518
431 1 1 . 1 1 78 78 SER CA C 497 57.191 57.191 56.789 0.402 17518
432 1 1 . 1 1 78 78 SER CB C 497 64.293 64.293 64.576 -0.283 17518
433 1 1 . 1 1 78 78 SER H H 497 8.204 8.204 8.147 0.057 17518
434 1 1 . 1 1 79 79 PHE N N 498 123.023 123.023 124.860 -1.837 17518
435 1 1 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.890 -0.080 17518
436 1 1 . 1 1 79 79 PHE C C 498 175.275 175.275 174.334 0.941 17518
437 1 1 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.376 0.631 17518
438 1 1 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.803 -0.814 17518
439 1 1 . 1 1 79 79 PHE H H 498 9.054 9.054 9.266 -0.212 17518
440 1 1 . 1 1 80 80 SER N N 499 117.002 117.002 116.108 0.894 17518
441 1 1 . 1 1 80 80 SER HA H 499 4.997 4.997 4.838 0.159 17518
442 1 1 . 1 1 80 80 SER C C 499 173.356 173.356 174.746 -1.390 17518
443 1 1 . 1 1 80 80 SER CA C 499 57.357 57.357 57.016 0.341 17518
444 1 1 . 1 1 80 80 SER CB C 499 65.301 65.301 65.100 0.201 17518
445 1 1 . 1 1 80 80 SER H H 499 8.804 8.804 8.513 0.291 17518
446 1 1 . 1 1 81 81 THR N N 500 112.529 112.529 114.322 -1.793 17518
447 1 1 . 1 1 81 81 THR HA H 500 3.820 3.820 3.936 -0.116 17518
448 1 1 . 1 1 81 81 THR C C 500 174.378 174.378 175.337 -0.959 17518
449 1 1 . 1 1 81 81 THR CA C 500 64.220 64.220 63.581 0.639 17518
450 1 1 . 1 1 81 81 THR CB C 500 69.475 69.475 69.020 0.455 17518
451 1 1 . 1 1 81 81 THR H H 500 7.559 7.559 8.323 -0.764 17518
452 1 1 . 1 1 82 82 GLY N N 501 112.234 112.234 113.524 -1.290 17518
453 1 1 . 1 1 82 82 GLY C C 501 174.342 174.342 172.343 1.999 17518
454 1 1 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.724 -0.929 17518
455 1 1 . 1 1 82 82 GLY H H 501 8.409 8.409 8.480 -0.071 17518
456 1 1 . 1 1 83 83 THR N N 502 120.411 120.411 118.488 1.923 17518
457 1 1 . 1 1 83 83 THR HA H 502 5.487 5.487 5.150 0.337 17518
458 1 1 . 1 1 83 83 THR C C 502 174.798 174.798 173.313 1.485 17518
459 1 1 . 1 1 83 83 THR CA C 502 62.497 62.497 60.878 1.619 17518
460 1 1 . 1 1 83 83 THR CB C 502 69.978 69.978 71.199 -1.221 17518
461 1 1 . 1 1 83 83 THR H H 502 8.729 8.729 8.148 0.581 17518
462 1 1 . 1 1 84 84 SER N N 503 123.023 123.023 120.704 2.319 17518
463 1 1 . 1 1 84 84 SER HA H 503 5.409 5.409 5.099 0.310 17518
464 1 1 . 1 1 84 84 SER C C 503 171.976 171.976 173.126 -1.150 17518
465 1 1 . 1 1 84 84 SER CA C 503 58.675 58.675 56.775 1.900 17518
466 1 1 . 1 1 84 84 SER CB C 503 67.607 67.607 66.216 1.391 17518
467 1 1 . 1 1 84 84 SER H H 503 9.121 9.121 9.104 0.017 17518
468 1 1 . 1 1 85 85 THR N N 504 118.388 118.388 118.389 -0.001 17518
469 1 1 . 1 1 85 85 THR HA H 504 5.241 5.241 5.084 0.157 17518
470 1 1 . 1 1 85 85 THR C C 504 172.930 172.930 172.762 0.168 17518
471 1 1 . 1 1 85 85 THR CA C 504 62.672 62.672 62.194 0.478 17518
472 1 1 . 1 1 85 85 THR CB C 504 70.641 70.641 71.242 -0.601 17518
473 1 1 . 1 1 85 85 THR H H 504 9.445 9.445 8.613 0.832 17518
474 1 1 . 1 1 86 86 TYR N N 505 129.195 129.195 128.965 0.230 17518
475 1 1 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.408 -0.299 17518
476 1 1 . 1 1 86 86 TYR C C 505 173.063 173.063 173.769 -0.706 17518
477 1 1 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.911 1.369 17518
478 1 1 . 1 1 86 86 TYR CB C 505 41.660 41.660 41.730 -0.070 17518
479 1 1 . 1 1 86 86 TYR H H 505 9.858 9.858 9.684 0.174 17518
480 1 1 . 1 1 87 87 THR N N 506 124.861 124.861 122.861 2.000 17518
481 1 1 . 1 1 87 87 THR HA H 506 4.288 4.288 4.813 -0.525 17518
482 1 1 . 1 1 87 87 THR C C 506 171.472 171.472 171.699 -0.227 17518
483 1 1 . 1 1 87 87 THR CA C 506 58.917 58.917 58.962 -0.045 17518
484 1 1 . 1 1 87 87 THR CB C 506 70.055 70.055 71.003 -0.948 17518
485 1 1 . 1 1 87 87 THR H H 506 7.906 7.906 8.656 -0.750 17518
486 1 1 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.389 -0.383 17518
487 1 1 . 1 1 88 88 PRO C C 507 176.975 176.975 176.876 0.099 17518
488 1 1 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.118 0.880 17518
489 1 1 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.489 -0.114 17518
490 1 1 . 1 1 89 89 GLY N N 508 108.823 108.823 109.149 -0.326 17518
491 1 1 . 1 1 89 89 GLY C C 508 173.757 173.757 174.441 -0.684 17518
492 1 1 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.915 -0.837 17518
493 1 1 . 1 1 89 89 GLY H H 508 8.294 8.294 8.670 -0.376 17518
494 1 1 . 1 1 90 90 ASN N N 509 117.850 117.850 124.798 -6.948 17518
495 1 1 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.545 0.178 17518
496 1 1 . 1 1 90 90 ASN C C 509 176.078 176.078 174.651 1.427 17518
497 1 1 . 1 1 90 90 ASN CA C 509 52.906 52.906 54.249 -1.343 17518
498 1 1 . 1 1 90 90 ASN CB C 509 39.922 39.922 37.740 2.182 17518
499 1 1 . 1 1 90 90 ASN H H 509 8.434 8.434 8.413 0.021 17518
500 1 1 . 1 1 91 91 SER N N 510 114.973 114.973 115.224 -0.251 17518
501 1 1 . 1 1 91 91 SER HA H 510 4.133 4.133 4.418 -0.285 17518
502 1 1 . 1 1 91 91 SER C C 510 174.773 174.773 174.335 0.438 17518
503 1 1 . 1 1 91 91 SER CA C 510 58.662 58.662 58.418 0.244 17518
504 1 1 . 1 1 91 91 SER CB C 510 62.209 62.209 63.459 -1.250 17518
505 1 1 . 1 1 91 91 SER H H 510 8.819 8.819 8.793 0.026 17518
506 1 1 . 1 1 92 92 GLY N N 511 108.552 108.552 110.211 -1.659 17518
507 1 1 . 1 1 92 92 GLY C C 511 174.613 174.613 173.127 1.486 17518
508 1 1 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.361 -0.098 17518
509 1 1 . 1 1 92 92 GLY H H 511 8.472 8.472 8.351 0.121 17518
510 1 1 . 1 1 93 93 ASN N N 512 119.035 119.035 119.638 -0.603 17518
511 1 1 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.859 -0.089 17518
512 1 1 . 1 1 93 93 ASN C C 512 174.627 174.627 174.552 0.075 17518
513 1 1 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.851 -0.018 17518
514 1 1 . 1 1 93 93 ASN CB C 512 39.771 39.771 40.258 -0.487 17518
515 1 1 . 1 1 93 93 ASN H H 512 7.985 7.985 7.816 0.169 17518
516 1 1 . 1 1 94 94 ALA N N 513 123.854 123.854 124.157 -0.303 17518
517 1 1 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.630 -0.026 17518
518 1 1 . 1 1 94 94 ALA C C 513 178.511 178.511 176.985 1.526 17518
519 1 1 . 1 1 94 94 ALA CA C 513 52.699 52.699 51.239 1.460 17518
520 1 1 . 1 1 94 94 ALA CB C 513 20.408 20.408 18.440 1.968 17518
521 1 1 . 1 1 94 94 ALA H H 513 8.442 8.442 8.644 -0.202 17518
522 1 1 . 1 1 95 95 GLY N N 514 108.880 108.880 110.831 -1.951 17518
523 1 1 . 1 1 95 95 GLY C C 514 173.104 173.104 174.386 -1.282 17518
524 1 1 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.174 -0.279 17518
525 1 1 . 1 1 95 95 GLY H H 514 8.353 8.353 8.161 0.192 17518
526 1 1 . 1 1 96 96 THR N N 515 110.444 110.444 116.960 -6.516 17518
527 1 1 . 1 1 96 96 THR HA H 515 4.504 4.504 4.606 -0.102 17518
528 1 1 . 1 1 96 96 THR C C 515 173.214 173.214 174.024 -0.810 17518
529 1 1 . 1 1 96 96 THR CA C 515 60.947 60.947 61.044 -0.097 17518
530 1 1 . 1 1 96 96 THR CB C 515 72.111 72.111 70.533 1.578 17518
531 1 1 . 1 1 96 96 THR H H 515 7.839 7.839 8.430 -0.591 17518
532 1 1 . 1 1 97 97 ILE N N 516 126.770 126.770 124.780 1.990 17518
533 1 1 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.247 -0.276 17518
534 1 1 . 1 1 97 97 ILE C C 516 176.061 176.061 175.790 0.271 17518
535 1 1 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.514 1.530 17518
536 1 1 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.095 -0.353 17518
537 1 1 . 1 1 97 97 ILE H H 516 8.733 8.733 8.515 0.218 17518
538 1 1 . 1 1 98 98 THR N N 517 121.307 121.307 120.261 1.046 17518
539 1 1 . 1 1 98 98 THR HA H 517 4.693 4.693 4.675 0.018 17518
540 1 1 . 1 1 98 98 THR C C 517 173.622 173.622 173.606 0.016 17518
541 1 1 . 1 1 98 98 THR CA C 517 59.692 59.692 59.811 -0.119 17518
542 1 1 . 1 1 98 98 THR CB C 517 71.290 71.290 70.799 0.491 17518
543 1 1 . 1 1 98 98 THR H H 517 9.270 9.270 8.988 0.282 17518
544 1 1 . 1 1 99 99 SER N N 518 118.544 118.544 119.425 -0.881 17518
545 1 1 . 1 1 99 99 SER HA H 518 4.548 4.548 4.542 0.006 17518
546 1 1 . 1 1 99 99 SER C C 518 175.405 175.405 173.870 1.535 17518
547 1 1 . 1 1 99 99 SER CA C 518 59.662 59.662 58.527 1.135 17518
548 1 1 . 1 1 99 99 SER CB C 518 63.836 63.836 62.493 1.343 17518
549 1 1 . 1 1 99 99 SER H H 518 8.667 8.667 8.565 0.102 17518
550 1 1 . 1 1 100 100 GLY N N 519 113.982 113.982 110.982 3.000 17518
551 1 1 . 1 1 100 100 GLY C C 519 171.714 171.714 172.614 -0.900 17518
552 1 1 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.351 -0.278 17518
553 1 1 . 1 1 100 100 GLY H H 519 8.443 8.443 7.471 0.972 17518
554 1 1 . 1 1 101 101 ALA N N 520 120.741 120.741 125.511 -4.770 17518
555 1 1 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.594 -0.987 17518
556 1 1 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.958 -1.495 17518
557 1 1 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.395 -1.264 17518
558 1 1 . 1 1 101 101 ALA H H 520 7.908 7.908 8.196 -0.288 17518
559 1 1 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.368 -0.326 17518
560 1 1 . 1 1 102 102 PRO C C 521 175.467 175.467 176.497 -1.030 17518
561 1 1 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.711 -0.013 17518
562 1 1 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.305 -0.441 17518
563 1 1 . 1 1 103 103 ALA N N 522 122.930 122.930 125.763 -2.833 17518
564 1 1 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.423 -0.310 17518
565 1 1 . 1 1 103 103 ALA C C 522 177.009 177.009 177.351 -0.342 17518
566 1 1 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.688 0.269 17518
567 1 1 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.011 1.678 17518
568 1 1 . 1 1 103 103 ALA H H 522 7.993 7.993 8.468 -0.475 17518
569 1 2 . 1 1 2 2 GLY C C 421 174.167 174.167 174.676 -0.509 17518
570 1 2 . 1 1 2 2 GLY CA C 421 45.259 45.259 44.842 0.417 17518
571 1 2 . 1 1 3 3 THR N N 422 113.380 113.380 120.978 -7.598 17518
572 1 2 . 1 1 3 3 THR HA H 422 4.348 4.348 4.194 0.154 17518
573 1 2 . 1 1 3 3 THR C C 422 174.773 174.773 174.261 0.512 17518
574 1 2 . 1 1 3 3 THR CA C 422 61.357 61.357 64.043 -2.686 17518
575 1 2 . 1 1 3 3 THR CB C 422 69.791 69.791 68.585 1.206 17518
576 1 2 . 1 1 3 3 THR H H 422 8.099 8.099 8.228 -0.129 17518
577 1 2 . 1 1 4 4 GLY N N 423 113.124 113.124 115.208 -2.084 17518
578 1 2 . 1 1 4 4 GLY C C 423 173.909 173.909 172.739 1.170 17518
579 1 2 . 1 1 4 4 GLY CA C 423 45.058 45.058 45.131 -0.073 17518
580 1 2 . 1 1 4 4 GLY H H 423 8.770 8.770 8.002 0.768 17518
581 1 2 . 1 1 5 5 ASN N N 424 121.226 121.226 119.373 1.853 17518
582 1 2 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.949 -0.375 17518
583 1 2 . 1 1 5 5 ASN C C 424 174.450 174.450 174.166 0.284 17518
584 1 2 . 1 1 5 5 ASN CA C 424 53.237 53.237 53.093 0.144 17518
585 1 2 . 1 1 5 5 ASN CB C 424 38.520 38.520 40.065 -1.545 17518
586 1 2 . 1 1 5 5 ASN H H 424 8.988 8.988 8.503 0.485 17518
587 1 2 . 1 1 6 6 LYS N N 425 119.587 119.587 119.923 -0.336 17518
588 1 2 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.582 0.547 17518
589 1 2 . 1 1 6 6 LYS C C 425 176.281 176.281 174.772 1.509 17518
590 1 2 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.064 -0.670 17518
591 1 2 . 1 1 6 6 LYS CB C 425 35.448 35.448 36.137 -0.689 17518
592 1 2 . 1 1 6 6 LYS H H 425 8.354 8.354 8.344 0.010 17518
593 1 2 . 1 1 7 7 VAL N N 426 124.203 124.203 122.080 2.123 17518
594 1 2 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.986 -0.524 17518
595 1 2 . 1 1 7 7 VAL C C 426 174.564 174.564 174.783 -0.219 17518
596 1 2 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.733 0.636 17518
597 1 2 . 1 1 7 7 VAL CB C 426 34.432 34.432 34.489 -0.057 17518
598 1 2 . 1 1 7 7 VAL H H 426 8.774 8.774 8.906 -0.132 17518
599 1 2 . 1 1 8 8 THR N N 427 125.363 125.363 123.990 1.373 17518
600 1 2 . 1 1 8 8 THR HA H 427 5.326 5.326 5.084 0.242 17518
601 1 2 . 1 1 8 8 THR C C 427 173.108 173.108 173.223 -0.115 17518
602 1 2 . 1 1 8 8 THR CA C 427 61.752 61.752 61.953 -0.201 17518
603 1 2 . 1 1 8 8 THR CB C 427 69.860 69.860 70.222 -0.361 17518
604 1 2 . 1 1 8 8 THR H H 427 8.851 8.851 9.115 -0.264 17518
605 1 2 . 1 1 9 9 ILE N N 428 127.015 127.015 126.296 0.719 17518
606 1 2 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.733 -0.077 17518
607 1 2 . 1 1 9 9 ILE C C 428 175.404 175.404 174.105 1.299 17518
608 1 2 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.441 -0.560 17518
609 1 2 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.657 1.534 17518
610 1 2 . 1 1 9 9 ILE H H 428 8.628 8.628 9.122 -0.494 17518
611 1 2 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.418 -0.249 17518
612 1 2 . 1 1 10 10 TYR C C 429 174.161 174.161 174.856 -0.695 17518
613 1 2 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.212 3.039 17518
614 1 2 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.185 1.198 17518
615 1 2 . 1 1 10 10 TYR H H 429 9.069 9.069 9.139 -0.070 17518
616 1 2 . 1 1 11 11 TYR N N 430 125.905 125.905 125.861 0.044 17518
617 1 2 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.599 -0.609 17518
618 1 2 . 1 1 11 11 TYR C C 430 173.359 173.359 174.259 -0.900 17518
619 1 2 . 1 1 11 11 TYR CA C 430 56.630 56.630 55.374 1.256 17518
620 1 2 . 1 1 11 11 TYR CB C 430 42.942 42.942 41.862 1.080 17518
621 1 2 . 1 1 11 11 TYR H H 430 9.500 9.500 9.093 0.407 17518
622 1 2 . 1 1 12 12 LYS N N 431 131.688 131.688 125.609 6.079 17518
623 1 2 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.264 1.098 17518
624 1 2 . 1 1 12 12 LYS C C 431 172.929 172.929 174.571 -1.642 17518
625 1 2 . 1 1 12 12 LYS CA C 431 55.867 55.867 54.958 0.909 17518
626 1 2 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.316 0.855 17518
627 1 2 . 1 1 12 12 LYS H H 431 8.410 8.410 7.678 0.732 17518
628 1 2 . 1 1 13 13 LYS N N 432 125.124 125.124 125.765 -0.641 17518
629 1 2 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.982 -0.110 17518
630 1 2 . 1 1 13 13 LYS C C 432 180.107 180.107 176.299 3.808 17518
631 1 2 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.605 -4.097 17518
632 1 2 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.273 -0.619 17518
633 1 2 . 1 1 14 14 GLY N N 433 112.761 112.761 112.411 0.350 17518
634 1 2 . 1 1 14 14 GLY C C 433 174.180 174.180 174.281 -0.101 17518
635 1 2 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.213 1.129 17518
636 1 2 . 1 1 14 14 GLY H H 433 7.585 7.585 8.639 -1.054 17518
637 1 2 . 1 1 15 15 PHE N N 434 121.529 121.529 118.546 2.983 17518
638 1 2 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.624 0.067 17518
639 1 2 . 1 1 15 15 PHE C C 434 175.899 175.899 175.735 0.164 17518
640 1 2 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.074 -1.917 17518
641 1 2 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.800 -2.328 17518
642 1 2 . 1 1 15 15 PHE H H 434 8.454 8.454 8.023 0.431 17518
643 1 2 . 1 1 16 16 ASN N N 435 117.583 117.583 116.796 0.787 17518
644 1 2 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.556 -0.157 17518
645 1 2 . 1 1 16 16 ASN C C 435 176.259 176.259 173.993 2.266 17518
646 1 2 . 1 1 16 16 ASN CA C 435 56.521 56.521 54.081 2.439 17518
647 1 2 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.091 1.275 17518
648 1 2 . 1 1 16 16 ASN H H 435 8.513 8.513 8.423 0.090 17518
649 1 2 . 1 1 17 17 SER N N 436 112.889 112.889 117.059 -4.170 17518
650 1 2 . 1 1 17 17 SER HA H 436 4.798 4.798 4.976 -0.178 17518
651 1 2 . 1 1 17 17 SER C C 436 171.151 171.151 171.947 -0.796 17518
652 1 2 . 1 1 17 17 SER CA C 436 53.721 53.721 54.478 -0.757 17518
653 1 2 . 1 1 17 17 SER CB C 436 63.834 63.834 64.123 -0.289 17518
654 1 2 . 1 1 17 17 SER H H 436 8.315 8.315 8.504 -0.189 17518
655 1 2 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.607 -0.045 17518
656 1 2 . 1 1 18 18 PRO C C 437 175.812 175.812 175.554 0.258 17518
657 1 2 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.130 0.487 17518
658 1 2 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.493 0.281 17518
659 1 2 . 1 1 19 19 TYR N N 438 122.060 122.060 118.750 3.310 17518
660 1 2 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.762 0.068 17518
661 1 2 . 1 1 19 19 TYR C C 438 174.732 174.732 174.905 -0.173 17518
662 1 2 . 1 1 19 19 TYR CA C 438 56.729 56.729 56.865 -0.136 17518
663 1 2 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.425 -0.667 17518
664 1 2 . 1 1 19 19 TYR H H 438 9.072 9.072 8.762 0.310 17518
665 1 2 . 1 1 20 20 ILE N N 439 118.018 118.018 120.094 -2.076 17518
666 1 2 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.716 0.272 17518
667 1 2 . 1 1 20 20 ILE C C 439 171.341 171.341 174.329 -2.988 17518
668 1 2 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.685 -1.112 17518
669 1 2 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.481 0.177 17518
670 1 2 . 1 1 20 20 ILE H H 439 9.164 9.164 8.957 0.207 17518
671 1 2 . 1 1 21 21 HIS N N 440 133.346 133.346 130.362 2.984 17518
672 1 2 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.951 0.424 17518
673 1 2 . 1 1 21 21 HIS C C 440 174.947 174.947 173.550 1.397 17518
674 1 2 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.330 -0.529 17518
675 1 2 . 1 1 21 21 HIS CB C 440 35.001 35.001 30.409 4.592 17518
676 1 2 . 1 1 21 21 HIS H H 440 8.843 8.843 8.588 0.255 17518
677 1 2 . 1 1 22 22 TYR N N 441 121.863 121.863 123.021 -1.158 17518
678 1 2 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.653 0.404 17518
679 1 2 . 1 1 22 22 TYR C C 441 173.567 173.567 173.784 -0.217 17518
680 1 2 . 1 1 22 22 TYR CA C 441 56.693 56.693 55.122 1.571 17518
681 1 2 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.966 0.830 17518
682 1 2 . 1 1 22 22 TYR H H 441 8.231 8.231 7.741 0.490 17518
683 1 2 . 1 1 23 23 ARG N N 442 116.788 116.788 121.344 -4.556 17518
684 1 2 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.729 -0.098 17518
685 1 2 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.660 -0.300 17518
686 1 2 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.431 -1.117 17518
687 1 2 . 1 1 23 23 ARG H H 442 8.456 8.456 8.961 -0.505 17518
688 1 2 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.506 0.001 17518
689 1 2 . 1 1 24 24 PRO C C 443 176.258 176.258 175.963 0.295 17518
690 1 2 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.968 0.276 17518
691 1 2 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.352 -0.155 17518
692 1 2 . 1 1 25 25 ALA N N 444 125.666 125.666 126.420 -0.754 17518
693 1 2 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.942 0.016 17518
694 1 2 . 1 1 25 25 ALA C C 444 179.221 179.221 177.495 1.726 17518
695 1 2 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.483 0.697 17518
696 1 2 . 1 1 25 25 ALA CB C 444 18.420 18.420 17.785 0.635 17518
697 1 2 . 1 1 25 25 ALA H H 444 8.230 8.230 8.145 0.085 17518
698 1 2 . 1 1 26 26 GLY N N 445 112.217 112.217 110.151 2.066 17518
699 1 2 . 1 1 26 26 GLY C C 445 174.734 174.734 174.383 0.351 17518
700 1 2 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.632 1.030 17518
701 1 2 . 1 1 26 26 GLY H H 445 8.591 8.591 7.857 0.734 17518
702 1 2 . 1 1 27 27 GLY N N 446 109.489 109.489 109.215 0.274 17518
703 1 2 . 1 1 27 27 GLY C C 446 173.379 173.379 172.824 0.555 17518
704 1 2 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.291 -0.174 17518
705 1 2 . 1 1 27 27 GLY H H 446 8.380 8.380 8.446 -0.066 17518
706 1 2 . 1 1 28 28 SER N N 447 117.275 117.275 114.686 2.589 17518
707 1 2 . 1 1 28 28 SER HA H 447 4.637 4.637 4.605 0.032 17518
708 1 2 . 1 1 28 28 SER C C 447 173.759 173.759 173.430 0.329 17518
709 1 2 . 1 1 28 28 SER CA C 447 57.410 57.410 57.342 0.068 17518
710 1 2 . 1 1 28 28 SER CB C 447 65.022 65.022 65.308 -0.286 17518
711 1 2 . 1 1 28 28 SER H H 447 8.585 8.585 8.257 0.328 17518
712 1 2 . 1 1 29 29 TRP N N 448 123.426 123.426 122.426 1.000 17518
713 1 2 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.403 -0.010 17518
714 1 2 . 1 1 29 29 TRP C C 448 178.997 178.997 177.364 1.633 17518
715 1 2 . 1 1 29 29 TRP CA C 448 58.166 58.166 58.078 0.088 17518
716 1 2 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.289 0.317 17518
717 1 2 . 1 1 29 29 TRP H H 448 8.346 8.346 8.468 -0.122 17518
718 1 2 . 1 1 30 30 THR N N 449 111.168 111.168 115.446 -4.278 17518
719 1 2 . 1 1 30 30 THR HA H 449 3.978 3.978 4.445 -0.467 17518
720 1 2 . 1 1 30 30 THR C C 449 174.707 174.707 174.256 0.451 17518
721 1 2 . 1 1 30 30 THR CA C 449 61.317 61.317 61.692 -0.375 17518
722 1 2 . 1 1 30 30 THR CB C 449 70.526 70.526 69.358 1.168 17518
723 1 2 . 1 1 30 30 THR H H 449 7.888 7.888 8.444 -0.556 17518
724 1 2 . 1 1 31 31 ALA N N 450 122.982 122.982 124.011 -1.029 17518
725 1 2 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.292 0.107 17518
726 1 2 . 1 1 31 31 ALA C C 450 178.443 178.443 176.574 1.869 17518
727 1 2 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.382 0.502 17518
728 1 2 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.054 0.007 17518
729 1 2 . 1 1 31 31 ALA H H 450 8.383 8.383 8.445 -0.062 17518
730 1 2 . 1 1 32 32 ALA N N 451 129.780 129.780 126.922 2.858 17518
731 1 2 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.127 -0.269 17518
732 1 2 . 1 1 32 32 ALA C C 451 175.997 175.997 175.828 0.169 17518
733 1 2 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.482 1.329 17518
734 1 2 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.320 -2.074 17518
735 1 2 . 1 1 32 32 ALA H H 451 8.778 8.778 7.830 0.948 17518
736 1 2 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.315 -0.471 17518
737 1 2 . 1 1 33 33 PRO C C 452 173.297 173.297 177.042 -3.745 17518
738 1 2 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.303 1.429 17518
739 1 2 . 1 1 33 33 PRO CB C 452 33.646 33.646 32.693 0.953 17518
740 1 2 . 1 1 34 34 GLY N N 453 112.150 112.150 112.836 -0.686 17518
741 1 2 . 1 1 34 34 GLY C C 453 174.011 174.011 173.832 0.179 17518
742 1 2 . 1 1 34 34 GLY CA C 453 43.995 43.995 46.280 -2.285 17518
743 1 2 . 1 1 34 34 GLY H H 453 8.685 8.685 7.975 0.710 17518
744 1 2 . 1 1 35 35 VAL N N 454 123.276 123.276 120.413 2.863 17518
745 1 2 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.427 -0.081 17518
746 1 2 . 1 1 35 35 VAL C C 454 174.782 174.782 175.136 -0.354 17518
747 1 2 . 1 1 35 35 VAL CA C 454 60.959 60.959 60.341 0.618 17518
748 1 2 . 1 1 35 35 VAL CB C 454 34.857 34.857 36.069 -1.212 17518
749 1 2 . 1 1 35 35 VAL H H 454 9.287 9.287 8.374 0.913 17518
750 1 2 . 1 1 36 36 LYS N N 455 128.135 128.135 129.005 -0.870 17518
751 1 2 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.058 -0.997 17518
752 1 2 . 1 1 36 36 LYS C C 455 176.438 176.438 176.306 0.132 17518
753 1 2 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.541 0.682 17518
754 1 2 . 1 1 36 36 LYS CB C 455 32.619 32.619 31.874 0.745 17518
755 1 2 . 1 1 36 36 LYS H H 455 8.443 8.443 8.452 -0.009 17518
756 1 2 . 1 1 37 37 MET N N 456 124.850 124.850 127.530 -2.680 17518
757 1 2 . 1 1 37 37 MET HA H 456 4.207 4.207 4.185 0.022 17518
758 1 2 . 1 1 37 37 MET C C 456 175.590 175.590 176.672 -1.082 17518
759 1 2 . 1 1 37 37 MET CA C 456 56.409 56.409 57.345 -0.936 17518
760 1 2 . 1 1 37 37 MET CB C 456 34.978 34.978 31.836 3.142 17518
761 1 2 . 1 1 37 37 MET H H 456 8.121 8.121 8.379 -0.258 17518
762 1 2 . 1 1 38 38 GLN N N 457 121.555 121.555 122.248 -0.693 17518
763 1 2 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.092 0.301 17518
764 1 2 . 1 1 38 38 GLN C C 457 175.737 175.737 175.879 -0.142 17518
765 1 2 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.833 -2.050 17518
766 1 2 . 1 1 38 38 GLN CB C 457 30.307 30.307 28.939 1.368 17518
767 1 2 . 1 1 38 38 GLN H H 457 8.441 8.441 8.771 -0.330 17518
768 1 2 . 1 1 39 39 ASP N N 458 121.629 121.629 118.698 2.931 17518
769 1 2 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.665 0.066 17518
770 1 2 . 1 1 39 39 ASP C C 458 176.733 176.733 175.097 1.636 17518
771 1 2 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.443 1.814 17518
772 1 2 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.943 -0.584 17518
773 1 2 . 1 1 39 39 ASP H H 458 8.720 8.720 8.428 0.292 17518
774 1 2 . 1 1 40 40 ALA N N 459 122.646 122.646 125.556 -2.910 17518
775 1 2 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.650 -0.358 17518
776 1 2 . 1 1 40 40 ALA C C 459 175.201 175.201 177.730 -2.529 17518
777 1 2 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.298 0.258 17518
778 1 2 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.828 2.119 17518
779 1 2 . 1 1 40 40 ALA H H 459 8.423 8.423 8.880 -0.457 17518
780 1 2 . 1 1 41 41 GLU N N 460 120.190 120.190 126.211 -6.021 17518
781 1 2 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.923 0.384 17518
782 1 2 . 1 1 41 41 GLU C C 460 174.722 174.722 177.727 -3.005 17518
783 1 2 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.359 -0.840 17518
784 1 2 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.140 -1.804 17518
785 1 2 . 1 1 41 41 GLU H H 460 10.341 10.341 8.869 1.472 17518
786 1 2 . 1 1 42 42 ILE N N 461 119.473 119.473 118.159 1.314 17518
787 1 2 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.695 0.616 17518
788 1 2 . 1 1 42 42 ILE C C 461 174.959 174.959 176.243 -1.284 17518
789 1 2 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.331 -4.365 17518
790 1 2 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.065 2.680 17518
791 1 2 . 1 1 42 42 ILE H H 461 6.466 6.466 7.858 -1.392 17518
792 1 2 . 1 1 43 43 SER N N 462 121.292 121.292 111.127 10.165 17518
793 1 2 . 1 1 43 43 SER HA H 462 4.297 4.297 4.505 -0.208 17518
794 1 2 . 1 1 43 43 SER C C 462 175.624 175.624 173.846 1.778 17518
795 1 2 . 1 1 43 43 SER CA C 462 60.112 60.112 58.620 1.492 17518
796 1 2 . 1 1 43 43 SER CB C 462 63.116 63.116 63.279 -0.163 17518
797 1 2 . 1 1 43 43 SER H H 462 8.584 8.584 7.589 0.995 17518
798 1 2 . 1 1 44 44 GLY N N 463 111.896 111.896 107.453 4.443 17518
799 1 2 . 1 1 44 44 GLY C C 463 173.823 173.823 172.833 0.990 17518
800 1 2 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.452 -0.573 17518
801 1 2 . 1 1 44 44 GLY H H 463 8.623 8.623 7.909 0.714 17518
802 1 2 . 1 1 45 45 TYR N N 464 116.379 116.379 119.744 -3.365 17518
803 1 2 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.757 0.941 17518
804 1 2 . 1 1 45 45 TYR C C 464 175.693 175.693 173.232 2.461 17518
805 1 2 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.588 0.024 17518
806 1 2 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.601 -0.677 17518
807 1 2 . 1 1 45 45 TYR H H 464 7.803 7.803 8.135 -0.332 17518
808 1 2 . 1 1 46 46 ALA N N 465 126.206 126.206 120.343 5.863 17518
809 1 2 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.436 -0.099 17518
810 1 2 . 1 1 46 46 ALA C C 465 176.129 176.129 175.792 0.337 17518
811 1 2 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.792 0.664 17518
812 1 2 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.059 2.287 17518
813 1 2 . 1 1 46 46 ALA H H 465 9.910 9.910 9.236 0.674 17518
814 1 2 . 1 1 47 47 LYS N N 466 120.226 120.226 121.058 -0.832 17518
815 1 2 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.250 0.422 17518
816 1 2 . 1 1 47 47 LYS C C 466 173.880 173.880 174.802 -0.922 17518
817 1 2 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.262 0.144 17518
818 1 2 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.424 0.736 17518
819 1 2 . 1 1 47 47 LYS H H 466 9.373 9.373 8.329 1.044 17518
820 1 2 . 1 1 48 48 ILE N N 467 120.505 120.505 121.352 -0.847 17518
821 1 2 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.515 -0.112 17518
822 1 2 . 1 1 48 48 ILE C C 467 171.247 171.247 173.140 -1.893 17518
823 1 2 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.454 -0.072 17518
824 1 2 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.784 -0.250 17518
825 1 2 . 1 1 48 48 ILE H H 467 8.085 8.085 8.863 -0.778 17518
826 1 2 . 1 1 49 49 THR N N 468 122.247 122.247 124.953 -2.706 17518
827 1 2 . 1 1 49 49 THR HA H 468 5.301 5.301 5.132 0.169 17518
828 1 2 . 1 1 49 49 THR C C 468 173.694 173.694 173.749 -0.055 17518
829 1 2 . 1 1 49 49 THR CA C 468 61.871 61.871 61.114 0.757 17518
830 1 2 . 1 1 49 49 THR CB C 468 70.649 70.649 69.713 0.936 17518
831 1 2 . 1 1 49 49 THR H H 468 7.954 7.954 8.254 -0.300 17518
832 1 2 . 1 1 50 50 VAL N N 469 126.076 126.076 126.667 -0.591 17518
833 1 2 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.063 0.048 17518
834 1 2 . 1 1 50 50 VAL C C 469 173.826 173.826 173.975 -0.149 17518
835 1 2 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.774 -0.575 17518
836 1 2 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.203 -0.154 17518
837 1 2 . 1 1 50 50 VAL H H 469 9.242 9.242 8.964 0.278 17518
838 1 2 . 1 1 51 51 ASP N N 470 126.346 126.346 125.958 0.388 17518
839 1 2 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.638 0.275 17518
840 1 2 . 1 1 51 51 ASP C C 470 177.013 177.013 176.480 0.533 17518
841 1 2 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.258 -1.244 17518
842 1 2 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.020 -0.101 17518
843 1 2 . 1 1 51 51 ASP H H 470 8.476 8.476 8.577 -0.101 17518
844 1 2 . 1 1 52 52 ILE N N 471 118.935 118.935 118.044 0.891 17518
845 1 2 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.612 -0.074 17518
846 1 2 . 1 1 52 52 ILE C C 471 176.991 176.991 176.137 0.854 17518
847 1 2 . 1 1 52 52 ILE CA C 471 59.992 59.992 59.630 0.362 17518
848 1 2 . 1 1 52 52 ILE CB C 471 38.002 38.002 38.615 -0.613 17518
849 1 2 . 1 1 52 52 ILE H H 471 8.728 8.728 8.381 0.347 17518
850 1 2 . 1 1 53 53 GLY N N 472 114.498 114.498 110.131 4.367 17518
851 1 2 . 1 1 53 53 GLY C C 472 174.971 174.971 173.854 1.117 17518
852 1 2 . 1 1 53 53 GLY CA C 472 47.668 47.668 46.986 0.682 17518
853 1 2 . 1 1 53 53 GLY H H 472 9.078 9.078 9.043 0.035 17518
854 1 2 . 1 1 54 54 SER N N 473 120.546 120.546 116.386 4.160 17518
855 1 2 . 1 1 54 54 SER HA H 473 4.426 4.426 4.281 0.145 17518
856 1 2 . 1 1 54 54 SER C C 473 174.975 174.975 172.914 2.061 17518
857 1 2 . 1 1 54 54 SER CA C 473 58.417 58.417 58.155 0.262 17518
858 1 2 . 1 1 54 54 SER CB C 473 63.632 63.632 63.943 -0.311 17518
859 1 2 . 1 1 54 54 SER H H 473 8.808 8.808 8.545 0.263 17518
860 1 2 . 1 1 55 55 ALA N N 474 125.402 125.402 124.519 0.883 17518
861 1 2 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.688 -0.322 17518
862 1 2 . 1 1 55 55 ALA C C 474 176.116 176.116 176.165 -0.049 17518
863 1 2 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.300 1.072 17518
864 1 2 . 1 1 55 55 ALA CB C 474 20.315 20.315 20.946 -0.631 17518
865 1 2 . 1 1 55 55 ALA H H 474 7.738 7.738 8.135 -0.397 17518
866 1 2 . 1 1 56 56 SER N N 475 110.149 110.149 116.158 -6.009 17518
867 1 2 . 1 1 56 56 SER HA H 475 4.539 4.539 4.516 0.023 17518
868 1 2 . 1 1 56 56 SER C C 475 173.662 173.662 173.402 0.260 17518
869 1 2 . 1 1 56 56 SER CA C 475 58.121 58.121 59.569 -1.448 17518
870 1 2 . 1 1 56 56 SER CB C 475 65.000 65.000 63.848 1.152 17518
871 1 2 . 1 1 56 56 SER H H 475 8.756 8.756 8.545 0.211 17518
872 1 2 . 1 1 57 57 GLN N N 476 117.023 117.023 118.464 -1.441 17518
873 1 2 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.808 0.250 17518
874 1 2 . 1 1 57 57 GLN C C 476 173.042 173.042 173.013 0.029 17518
875 1 2 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.208 -0.984 17518
876 1 2 . 1 1 57 57 GLN CB C 476 33.609 33.609 32.901 0.708 17518
877 1 2 . 1 1 57 57 GLN H H 476 7.139 7.139 7.374 -0.235 17518
878 1 2 . 1 1 58 58 LEU N N 477 121.156 121.156 124.696 -3.540 17518
879 1 2 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.053 -0.307 17518
880 1 2 . 1 1 58 58 LEU C C 477 173.922 173.922 174.064 -0.142 17518
881 1 2 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.490 -0.983 17518
882 1 2 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.390 0.890 17518
883 1 2 . 1 1 58 58 LEU H H 477 9.149 9.149 9.286 -0.137 17518
884 1 2 . 1 1 59 59 GLU N N 478 126.375 126.375 126.038 0.337 17518
885 1 2 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.345 0.011 17518
886 1 2 . 1 1 59 59 GLU C C 478 175.481 175.481 175.016 0.465 17518
887 1 2 . 1 1 59 59 GLU CA C 478 54.597 54.597 54.972 -0.376 17518
888 1 2 . 1 1 59 59 GLU CB C 478 32.759 32.759 33.082 -0.323 17518
889 1 2 . 1 1 59 59 GLU H H 478 8.558 8.558 8.918 -0.360 17518
890 1 2 . 1 1 60 60 ALA N N 479 124.321 124.321 127.934 -3.613 17518
891 1 2 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.993 -0.201 17518
892 1 2 . 1 1 60 60 ALA C C 479 174.955 174.955 175.397 -0.442 17518
893 1 2 . 1 1 60 60 ALA CA C 479 51.141 51.141 51.246 -0.105 17518
894 1 2 . 1 1 60 60 ALA CB C 479 25.094 25.094 24.145 0.949 17518
895 1 2 . 1 1 60 60 ALA H H 479 9.614 9.614 9.272 0.342 17518
896 1 2 . 1 1 61 61 ALA N N 480 120.954 120.954 121.272 -0.318 17518
897 1 2 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.347 -0.553 17518
898 1 2 . 1 1 61 61 ALA C C 480 174.782 174.782 174.985 -0.203 17518
899 1 2 . 1 1 61 61 ALA CA C 480 51.257 51.257 50.714 0.543 17518
900 1 2 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.894 0.320 17518
901 1 2 . 1 1 61 61 ALA H H 480 9.346 9.346 9.392 -0.046 17518
902 1 2 . 1 1 62 62 PHE N N 481 117.021 117.021 119.988 -2.967 17518
903 1 2 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.855 1.029 17518
904 1 2 . 1 1 62 62 PHE C C 481 175.044 175.044 173.130 1.914 17518
905 1 2 . 1 1 62 62 PHE CA C 481 56.588 56.588 54.993 1.595 17518
906 1 2 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.301 0.962 17518
907 1 2 . 1 1 62 62 PHE H H 481 8.351 8.351 8.933 -0.582 17518
908 1 2 . 1 1 63 63 ASN N N 482 116.362 116.362 120.746 -4.384 17518
909 1 2 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.274 0.834 17518
910 1 2 . 1 1 63 63 ASN C C 482 172.088 172.088 174.304 -2.216 17518
911 1 2 . 1 1 63 63 ASN CA C 482 53.710 53.710 51.889 1.821 17518
912 1 2 . 1 1 63 63 ASN CB C 482 41.348 41.348 40.943 0.405 17518
913 1 2 . 1 1 63 63 ASN H H 482 9.077 9.077 8.369 0.708 17518
914 1 2 . 1 1 64 64 ASP N N 483 118.002 118.002 120.542 -2.540 17518
915 1 2 . 1 1 64 64 ASP HA H 483 4.184 4.184 3.975 0.208 17518
916 1 2 . 1 1 64 64 ASP C C 483 177.271 177.271 177.317 -0.046 17518
917 1 2 . 1 1 64 64 ASP CA C 483 52.301 52.301 54.312 -2.011 17518
918 1 2 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.619 1.268 17518
919 1 2 . 1 1 64 64 ASP H H 483 7.482 7.482 7.841 -0.359 17518
920 1 2 . 1 1 65 65 GLY N N 484 110.602 110.602 107.996 2.606 17518
921 1 2 . 1 1 65 65 GLY C C 484 173.156 173.156 173.920 -0.764 17518
922 1 2 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.604 0.011 17518
923 1 2 . 1 1 65 65 GLY H H 484 8.696 8.696 7.444 1.252 17518
924 1 2 . 1 1 66 66 ASN N N 485 120.867 120.867 119.227 1.640 17518
925 1 2 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.602 0.102 17518
926 1 2 . 1 1 66 66 ASN C C 485 174.442 174.442 174.797 -0.355 17518
927 1 2 . 1 1 66 66 ASN CA C 485 52.311 52.311 54.951 -2.640 17518
928 1 2 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.146 0.345 17518
929 1 2 . 1 1 66 66 ASN H H 485 8.371 8.371 8.455 -0.084 17518
930 1 2 . 1 1 67 67 ASN N N 486 113.518 113.518 114.863 -1.345 17518
931 1 2 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.889 -0.711 17518
932 1 2 . 1 1 67 67 ASN C C 486 173.845 173.845 173.643 0.202 17518
933 1 2 . 1 1 67 67 ASN CA C 486 54.486 54.486 52.925 1.561 17518
934 1 2 . 1 1 67 67 ASN CB C 486 38.267 38.267 40.923 -2.656 17518
935 1 2 . 1 1 67 67 ASN H H 486 8.700 8.700 8.263 0.437 17518
936 1 2 . 1 1 68 68 ASN N N 487 118.464 118.464 120.277 -1.813 17518
937 1 2 . 1 1 68 68 ASN HA H 487 5.058 5.058 5.105 -0.047 17518
938 1 2 . 1 1 68 68 ASN C C 487 173.449 173.449 173.362 0.087 17518
939 1 2 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.807 0.461 17518
940 1 2 . 1 1 68 68 ASN CB C 487 38.813 38.813 40.218 -1.405 17518
941 1 2 . 1 1 68 68 ASN H H 487 7.975 7.975 8.677 -0.702 17518
942 1 2 . 1 1 69 69 TRP N N 488 120.817 120.817 122.335 -1.518 17518
943 1 2 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.867 -0.045 17518
944 1 2 . 1 1 69 69 TRP C C 488 176.268 176.268 175.583 0.685 17518
945 1 2 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.783 1.395 17518
946 1 2 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.769 0.562 17518
947 1 2 . 1 1 69 69 TRP H H 488 8.771 8.771 8.606 0.165 17518
948 1 2 . 1 1 70 70 ASP N N 489 122.179 122.179 119.172 3.007 17518
949 1 2 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.171 0.025 17518
950 1 2 . 1 1 70 70 ASP C C 489 175.441 175.441 174.368 1.073 17518
951 1 2 . 1 1 70 70 ASP CA C 489 53.345 53.345 53.715 -0.370 17518
952 1 2 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.940 -1.972 17518
953 1 2 . 1 1 70 70 ASP H H 489 9.795 9.795 9.049 0.746 17518
954 1 2 . 1 1 71 71 SER N N 490 117.314 117.314 118.704 -1.390 17518
955 1 2 . 1 1 71 71 SER HA H 490 5.084 5.084 4.421 0.663 17518
956 1 2 . 1 1 71 71 SER C C 490 175.277 175.277 174.593 0.684 17518
957 1 2 . 1 1 71 71 SER CA C 490 56.099 56.099 55.850 0.249 17518
958 1 2 . 1 1 71 71 SER CB C 490 66.550 66.550 66.131 0.419 17518
959 1 2 . 1 1 71 71 SER H H 490 9.238 9.238 7.956 1.282 17518
960 1 2 . 1 1 72 72 ASN N N 491 122.911 122.911 119.596 3.315 17518
961 1 2 . 1 1 72 72 ASN HA H 491 4.367 4.367 4.092 0.275 17518
962 1 2 . 1 1 72 72 ASN C C 491 176.857 176.857 175.436 1.421 17518
963 1 2 . 1 1 72 72 ASN CA C 491 53.192 53.192 55.361 -2.169 17518
964 1 2 . 1 1 72 72 ASN CB C 491 35.574 35.574 38.517 -2.943 17518
965 1 2 . 1 1 72 72 ASN H H 491 8.536 8.536 8.368 0.168 17518
966 1 2 . 1 1 73 73 ASN N N 492 116.146 116.146 110.976 5.170 17518
967 1 2 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.662 -0.277 17518
968 1 2 . 1 1 73 73 ASN C C 492 176.335 176.335 174.316 2.019 17518
969 1 2 . 1 1 73 73 ASN CA C 492 54.488 54.488 54.167 0.321 17518
970 1 2 . 1 1 73 73 ASN CB C 492 37.331 37.331 38.468 -1.137 17518
971 1 2 . 1 1 73 73 ASN H H 492 9.086 9.086 8.131 0.955 17518
972 1 2 . 1 1 74 74 THR N N 493 110.420 110.420 110.527 -0.107 17518
973 1 2 . 1 1 74 74 THR HA H 493 3.779 3.779 4.371 -0.592 17518
974 1 2 . 1 1 74 74 THR C C 493 173.194 173.194 173.193 0.001 17518
975 1 2 . 1 1 74 74 THR CA C 493 65.027 65.027 63.427 1.600 17518
976 1 2 . 1 1 74 74 THR CB C 493 69.730 69.730 68.648 1.082 17518
977 1 2 . 1 1 74 74 THR H H 493 7.782 7.782 7.820 -0.038 17518
978 1 2 . 1 1 75 75 LYS N N 494 121.968 121.968 119.444 2.524 17518
979 1 2 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.423 -0.356 17518
980 1 2 . 1 1 75 75 LYS C C 494 177.470 177.470 174.839 2.631 17518
981 1 2 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.196 1.813 17518
982 1 2 . 1 1 75 75 LYS CB C 494 32.586 32.586 34.689 -2.103 17518
983 1 2 . 1 1 75 75 LYS H H 494 7.652 7.652 7.932 -0.280 17518
984 1 2 . 1 1 76 76 ASN N N 495 108.525 108.525 113.286 -4.761 17518
985 1 2 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.549 -0.619 17518
986 1 2 . 1 1 76 76 ASN C C 495 172.085 172.085 173.083 -0.998 17518
987 1 2 . 1 1 76 76 ASN CA C 495 54.413 54.413 52.715 1.698 17518
988 1 2 . 1 1 76 76 ASN CB C 495 39.048 39.048 38.604 0.444 17518
989 1 2 . 1 1 76 76 ASN H H 495 8.197 8.197 7.736 0.461 17518
990 1 2 . 1 1 77 77 TYR N N 496 118.076 118.076 118.588 -0.512 17518
991 1 2 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.627 0.166 17518
992 1 2 . 1 1 77 77 TYR C C 496 175.074 175.074 174.603 0.471 17518
993 1 2 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.141 0.530 17518
994 1 2 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.418 1.367 17518
995 1 2 . 1 1 77 77 TYR H H 496 9.133 9.133 8.698 0.435 17518
996 1 2 . 1 1 78 78 SER N N 497 116.400 116.400 115.117 1.283 17518
997 1 2 . 1 1 78 78 SER HA H 497 5.345 5.345 4.705 0.640 17518
998 1 2 . 1 1 78 78 SER C C 497 173.130 173.130 172.829 0.301 17518
999 1 2 . 1 1 78 78 SER CA C 497 57.191 57.191 56.618 0.573 17518
1000 1 2 . 1 1 78 78 SER CB C 497 64.293 64.293 64.892 -0.599 17518
1001 1 2 . 1 1 78 78 SER H H 497 8.204 8.204 7.968 0.236 17518
1002 1 2 . 1 1 79 79 PHE N N 498 123.023 123.023 124.169 -1.146 17518
1003 1 2 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.818 -0.008 17518
1004 1 2 . 1 1 79 79 PHE C C 498 175.275 175.275 174.730 0.545 17518
1005 1 2 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.578 0.429 17518
1006 1 2 . 1 1 79 79 PHE CB C 498 42.989 42.989 42.522 0.467 17518
1007 1 2 . 1 1 79 79 PHE H H 498 9.054 9.054 9.128 -0.074 17518
1008 1 2 . 1 1 80 80 SER N N 499 117.002 117.002 117.423 -0.421 17518
1009 1 2 . 1 1 80 80 SER HA H 499 4.997 4.997 4.881 0.116 17518
1010 1 2 . 1 1 80 80 SER C C 499 173.356 173.356 175.110 -1.754 17518
1011 1 2 . 1 1 80 80 SER CA C 499 57.357 57.357 57.358 -0.001 17518
1012 1 2 . 1 1 80 80 SER CB C 499 65.301 65.301 64.186 1.115 17518
1013 1 2 . 1 1 80 80 SER H H 499 8.804 8.804 8.597 0.207 17518
1014 1 2 . 1 1 81 81 THR N N 500 112.529 112.529 114.575 -2.046 17518
1015 1 2 . 1 1 81 81 THR HA H 500 3.820 3.820 3.977 -0.157 17518
1016 1 2 . 1 1 81 81 THR C C 500 174.378 174.378 175.412 -1.034 17518
1017 1 2 . 1 1 81 81 THR CA C 500 64.220 64.220 63.546 0.674 17518
1018 1 2 . 1 1 81 81 THR CB C 500 69.475 69.475 68.978 0.497 17518
1019 1 2 . 1 1 81 81 THR H H 500 7.559 7.559 7.946 -0.387 17518
1020 1 2 . 1 1 82 82 GLY N N 501 112.234 112.234 114.865 -2.631 17518
1021 1 2 . 1 1 82 82 GLY C C 501 174.342 174.342 172.276 2.066 17518
1022 1 2 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.762 -0.967 17518
1023 1 2 . 1 1 82 82 GLY H H 501 8.409 8.409 8.445 -0.036 17518
1024 1 2 . 1 1 83 83 THR N N 502 120.411 120.411 118.454 1.957 17518
1025 1 2 . 1 1 83 83 THR HA H 502 5.487 5.487 5.101 0.386 17518
1026 1 2 . 1 1 83 83 THR C C 502 174.798 174.798 173.493 1.305 17518
1027 1 2 . 1 1 83 83 THR CA C 502 62.497 62.497 60.543 1.954 17518
1028 1 2 . 1 1 83 83 THR CB C 502 69.978 69.978 71.428 -1.450 17518
1029 1 2 . 1 1 83 83 THR H H 502 8.729 8.729 8.100 0.629 17518
1030 1 2 . 1 1 84 84 SER N N 503 123.023 123.023 120.967 2.056 17518
1031 1 2 . 1 1 84 84 SER HA H 503 5.409 5.409 5.225 0.184 17518
1032 1 2 . 1 1 84 84 SER C C 503 171.976 171.976 173.117 -1.141 17518
1033 1 2 . 1 1 84 84 SER CA C 503 58.675 58.675 56.697 1.978 17518
1034 1 2 . 1 1 84 84 SER CB C 503 67.607 67.607 66.478 1.129 17518
1035 1 2 . 1 1 84 84 SER H H 503 9.121 9.121 9.096 0.025 17518
1036 1 2 . 1 1 85 85 THR N N 504 118.388 118.388 119.222 -0.834 17518
1037 1 2 . 1 1 85 85 THR HA H 504 5.241 5.241 5.037 0.204 17518
1038 1 2 . 1 1 85 85 THR C C 504 172.930 172.930 172.868 0.062 17518
1039 1 2 . 1 1 85 85 THR CA C 504 62.672 62.672 62.420 0.252 17518
1040 1 2 . 1 1 85 85 THR CB C 504 70.641 70.641 71.226 -0.585 17518
1041 1 2 . 1 1 85 85 THR H H 504 9.445 9.445 8.753 0.692 17518
1042 1 2 . 1 1 86 86 TYR N N 505 129.195 129.195 129.021 0.174 17518
1043 1 2 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.580 -0.471 17518
1044 1 2 . 1 1 86 86 TYR C C 505 173.063 173.063 173.649 -0.586 17518
1045 1 2 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.854 1.426 17518
1046 1 2 . 1 1 86 86 TYR CB C 505 41.660 41.660 41.843 -0.183 17518
1047 1 2 . 1 1 86 86 TYR H H 505 9.858 9.858 9.683 0.175 17518
1048 1 2 . 1 1 87 87 THR N N 506 124.861 124.861 123.419 1.442 17518
1049 1 2 . 1 1 87 87 THR HA H 506 4.288 4.288 4.927 -0.639 17518
1050 1 2 . 1 1 87 87 THR C C 506 171.472 171.472 171.952 -0.480 17518
1051 1 2 . 1 1 87 87 THR CA C 506 58.917 58.917 58.762 0.155 17518
1052 1 2 . 1 1 87 87 THR CB C 506 70.055 70.055 71.363 -1.308 17518
1053 1 2 . 1 1 87 87 THR H H 506 7.906 7.906 8.886 -0.980 17518
1054 1 2 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.716 -0.710 17518
1055 1 2 . 1 1 88 88 PRO C C 507 176.975 176.975 176.729 0.246 17518
1056 1 2 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.984 0.014 17518
1057 1 2 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.414 -0.041 17518
1058 1 2 . 1 1 89 89 GLY N N 508 108.823 108.823 110.793 -1.970 17518
1059 1 2 . 1 1 89 89 GLY C C 508 173.757 173.757 173.040 0.717 17518
1060 1 2 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.011 0.067 17518
1061 1 2 . 1 1 89 89 GLY H H 508 8.294 8.294 8.552 -0.258 17518
1062 1 2 . 1 1 90 90 ASN N N 509 117.850 117.850 116.104 1.746 17518
1063 1 2 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.650 0.073 17518
1064 1 2 . 1 1 90 90 ASN C C 509 176.078 176.078 174.612 1.466 17518
1065 1 2 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.049 -0.143 17518
1066 1 2 . 1 1 90 90 ASN CB C 509 39.922 39.922 39.489 0.433 17518
1067 1 2 . 1 1 90 90 ASN H H 509 8.434 8.434 7.685 0.749 17518
1068 1 2 . 1 1 91 91 SER N N 510 114.973 114.973 115.318 -0.345 17518
1069 1 2 . 1 1 91 91 SER HA H 510 4.133 4.133 4.167 -0.034 17518
1070 1 2 . 1 1 91 91 SER C C 510 174.773 174.773 174.446 0.327 17518
1071 1 2 . 1 1 91 91 SER CA C 510 58.662 58.662 61.055 -2.393 17518
1072 1 2 . 1 1 91 91 SER CB C 510 62.209 62.209 62.581 -0.372 17518
1073 1 2 . 1 1 91 91 SER H H 510 8.819 8.819 9.011 -0.192 17518
1074 1 2 . 1 1 92 92 GLY N N 511 108.552 108.552 110.001 -1.449 17518
1075 1 2 . 1 1 92 92 GLY C C 511 174.613 174.613 174.271 0.342 17518
1076 1 2 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.191 0.072 17518
1077 1 2 . 1 1 92 92 GLY H H 511 8.472 8.472 8.462 0.010 17518
1078 1 2 . 1 1 93 93 ASN N N 512 119.035 119.035 119.823 -0.788 17518
1079 1 2 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.828 -0.058 17518
1080 1 2 . 1 1 93 93 ASN C C 512 174.627 174.627 173.350 1.277 17518
1081 1 2 . 1 1 93 93 ASN CA C 512 52.833 52.833 53.452 -0.619 17518
1082 1 2 . 1 1 93 93 ASN CB C 512 39.771 39.771 41.242 -1.471 17518
1083 1 2 . 1 1 93 93 ASN H H 512 7.985 7.985 8.142 -0.157 17518
1084 1 2 . 1 1 94 94 ALA N N 513 123.854 123.854 122.046 1.808 17518
1085 1 2 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.528 0.076 17518
1086 1 2 . 1 1 94 94 ALA C C 513 178.511 178.511 176.567 1.944 17518
1087 1 2 . 1 1 94 94 ALA CA C 513 52.699 52.699 52.331 0.368 17518
1088 1 2 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.282 0.126 17518
1089 1 2 . 1 1 94 94 ALA H H 513 8.442 8.442 8.243 0.199 17518
1090 1 2 . 1 1 95 95 GLY N N 514 108.880 108.880 112.162 -3.282 17518
1091 1 2 . 1 1 95 95 GLY C C 514 173.104 173.104 174.126 -1.022 17518
1092 1 2 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.336 -0.441 17518
1093 1 2 . 1 1 95 95 GLY H H 514 8.353 8.353 8.441 -0.088 17518
1094 1 2 . 1 1 96 96 THR N N 515 110.444 110.444 116.760 -6.316 17518
1095 1 2 . 1 1 96 96 THR HA H 515 4.504 4.504 4.541 -0.037 17518
1096 1 2 . 1 1 96 96 THR C C 515 173.214 173.214 173.613 -0.399 17518
1097 1 2 . 1 1 96 96 THR CA C 515 60.947 60.947 60.388 0.559 17518
1098 1 2 . 1 1 96 96 THR CB C 515 72.111 72.111 70.387 1.724 17518
1099 1 2 . 1 1 96 96 THR H H 515 7.839 7.839 8.572 -0.733 17518
1100 1 2 . 1 1 97 97 ILE N N 516 126.770 126.770 124.866 1.904 17518
1101 1 2 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.183 -0.212 17518
1102 1 2 . 1 1 97 97 ILE C C 516 176.061 176.061 175.787 0.274 17518
1103 1 2 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.726 1.319 17518
1104 1 2 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.286 -0.544 17518
1105 1 2 . 1 1 97 97 ILE H H 516 8.733 8.733 8.365 0.368 17518
1106 1 2 . 1 1 98 98 THR N N 517 121.307 121.307 119.910 1.397 17518
1107 1 2 . 1 1 98 98 THR HA H 517 4.693 4.693 4.735 -0.042 17518
1108 1 2 . 1 1 98 98 THR C C 517 173.622 173.622 173.657 -0.035 17518
1109 1 2 . 1 1 98 98 THR CA C 517 59.692 59.692 59.893 -0.201 17518
1110 1 2 . 1 1 98 98 THR CB C 517 71.290 71.290 70.912 0.378 17518
1111 1 2 . 1 1 98 98 THR H H 517 9.270 9.270 9.073 0.197 17518
1112 1 2 . 1 1 99 99 SER N N 518 118.544 118.544 119.479 -0.935 17518
1113 1 2 . 1 1 99 99 SER HA H 518 4.548 4.548 4.624 -0.076 17518
1114 1 2 . 1 1 99 99 SER C C 518 175.405 175.405 173.889 1.516 17518
1115 1 2 . 1 1 99 99 SER CA C 518 59.662 59.662 58.427 1.235 17518
1116 1 2 . 1 1 99 99 SER CB C 518 63.836 63.836 62.689 1.147 17518
1117 1 2 . 1 1 99 99 SER H H 518 8.667 8.667 8.617 0.050 17518
1118 1 2 . 1 1 100 100 GLY N N 519 113.982 113.982 111.168 2.814 17518
1119 1 2 . 1 1 100 100 GLY C C 519 171.714 171.714 172.686 -0.972 17518
1120 1 2 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.337 -0.264 17518
1121 1 2 . 1 1 100 100 GLY H H 519 8.443 8.443 7.561 0.882 17518
1122 1 2 . 1 1 101 101 ALA N N 520 120.741 120.741 125.779 -5.038 17518
1123 1 2 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.652 -1.045 17518
1124 1 2 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.923 -1.460 17518
1125 1 2 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.430 -1.299 17518
1126 1 2 . 1 1 101 101 ALA H H 520 7.908 7.908 8.220 -0.312 17518
1127 1 2 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.373 -0.331 17518
1128 1 2 . 1 1 102 102 PRO C C 521 175.467 175.467 176.460 -0.993 17518
1129 1 2 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.735 -0.037 17518
1130 1 2 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.284 -0.420 17518
1131 1 2 . 1 1 103 103 ALA N N 522 122.930 122.930 126.263 -3.333 17518
1132 1 2 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.515 -0.402 17518
1133 1 2 . 1 1 103 103 ALA C C 522 177.009 177.009 178.101 -1.092 17518
1134 1 2 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.525 0.431 17518
1135 1 2 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.308 1.381 17518
1136 1 2 . 1 1 103 103 ALA H H 522 7.993 7.993 8.423 -0.430 17518
1137 1 3 . 1 1 2 2 GLY C C 421 174.167 174.167 174.015 0.152 17518
1138 1 3 . 1 1 2 2 GLY CA C 421 45.259 45.259 45.135 0.124 17518
1139 1 3 . 1 1 3 3 THR N N 422 113.380 113.380 113.145 0.235 17518
1140 1 3 . 1 1 3 3 THR HA H 422 4.348 4.348 4.399 -0.051 17518
1141 1 3 . 1 1 3 3 THR C C 422 174.773 174.773 174.154 0.619 17518
1142 1 3 . 1 1 3 3 THR CA C 422 61.357 61.357 62.599 -1.242 17518
1143 1 3 . 1 1 3 3 THR CB C 422 69.791 69.791 69.242 0.549 17518
1144 1 3 . 1 1 3 3 THR H H 422 8.099 8.099 8.234 -0.135 17518
1145 1 3 . 1 1 4 4 GLY N N 423 113.124 113.124 110.496 2.628 17518
1146 1 3 . 1 1 4 4 GLY C C 423 173.909 173.909 172.692 1.217 17518
1147 1 3 . 1 1 4 4 GLY CA C 423 45.058 45.058 44.633 0.425 17518
1148 1 3 . 1 1 4 4 GLY H H 423 8.770 8.770 7.866 0.904 17518
1149 1 3 . 1 1 5 5 ASN N N 424 121.226 121.226 119.673 1.553 17518
1150 1 3 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.964 -0.390 17518
1151 1 3 . 1 1 5 5 ASN C C 424 174.450 174.450 173.945 0.505 17518
1152 1 3 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.047 1.190 17518
1153 1 3 . 1 1 5 5 ASN CB C 424 38.520 38.520 41.549 -3.029 17518
1154 1 3 . 1 1 5 5 ASN H H 424 8.988 8.988 8.668 0.320 17518
1155 1 3 . 1 1 6 6 LYS N N 425 119.587 119.587 120.609 -1.022 17518
1156 1 3 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.546 0.583 17518
1157 1 3 . 1 1 6 6 LYS C C 425 176.281 176.281 174.568 1.713 17518
1158 1 3 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.354 -0.960 17518
1159 1 3 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.647 -0.199 17518
1160 1 3 . 1 1 6 6 LYS H H 425 8.354 8.354 8.407 -0.053 17518
1161 1 3 . 1 1 7 7 VAL N N 426 124.203 124.203 124.747 -0.544 17518
1162 1 3 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.812 -0.350 17518
1163 1 3 . 1 1 7 7 VAL C C 426 174.564 174.564 175.065 -0.501 17518
1164 1 3 . 1 1 7 7 VAL CA C 426 61.369 61.369 61.179 0.190 17518
1165 1 3 . 1 1 7 7 VAL CB C 426 34.432 34.432 33.549 0.883 17518
1166 1 3 . 1 1 7 7 VAL H H 426 8.774 8.774 9.031 -0.257 17518
1167 1 3 . 1 1 8 8 THR N N 427 125.363 125.363 124.520 0.843 17518
1168 1 3 . 1 1 8 8 THR HA H 427 5.326 5.326 5.171 0.155 17518
1169 1 3 . 1 1 8 8 THR C C 427 173.108 173.108 173.249 -0.141 17518
1170 1 3 . 1 1 8 8 THR CA C 427 61.752 61.752 61.877 -0.124 17518
1171 1 3 . 1 1 8 8 THR CB C 427 69.860 69.860 70.344 -0.484 17518
1172 1 3 . 1 1 8 8 THR H H 427 8.851 8.851 9.184 -0.333 17518
1173 1 3 . 1 1 9 9 ILE N N 428 127.015 127.015 126.427 0.588 17518
1174 1 3 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.892 -0.236 17518
1175 1 3 . 1 1 9 9 ILE C C 428 175.404 175.404 174.365 1.039 17518
1176 1 3 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.430 -0.550 17518
1177 1 3 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.895 1.296 17518
1178 1 3 . 1 1 9 9 ILE H H 428 8.628 8.628 9.298 -0.670 17518
1179 1 3 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.392 -0.223 17518
1180 1 3 . 1 1 10 10 TYR C C 429 174.161 174.161 174.887 -0.726 17518
1181 1 3 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.269 2.982 17518
1182 1 3 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.070 1.313 17518
1183 1 3 . 1 1 10 10 TYR H H 429 9.069 9.069 9.230 -0.161 17518
1184 1 3 . 1 1 11 11 TYR N N 430 125.905 125.905 126.106 -0.201 17518
1185 1 3 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.462 -0.472 17518
1186 1 3 . 1 1 11 11 TYR C C 430 173.359 173.359 174.446 -1.087 17518
1187 1 3 . 1 1 11 11 TYR CA C 430 56.630 56.630 54.343 2.288 17518
1188 1 3 . 1 1 11 11 TYR CB C 430 42.942 42.942 41.638 1.304 17518
1189 1 3 . 1 1 11 11 TYR H H 430 9.500 9.500 8.807 0.693 17518
1190 1 3 . 1 1 12 12 LYS N N 431 131.688 131.688 126.203 5.485 17518
1191 1 3 . 1 1 12 12 LYS HA H 431 3.362 3.362 3.039 0.323 17518
1192 1 3 . 1 1 12 12 LYS C C 431 172.929 172.929 174.860 -1.931 17518
1193 1 3 . 1 1 12 12 LYS CA C 431 55.867 55.867 56.009 -0.142 17518
1194 1 3 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.342 0.829 17518
1195 1 3 . 1 1 12 12 LYS H H 431 8.410 8.410 7.930 0.480 17518
1196 1 3 . 1 1 13 13 LYS N N 432 125.124 125.124 124.202 0.922 17518
1197 1 3 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.851 0.021 17518
1198 1 3 . 1 1 13 13 LYS C C 432 180.107 180.107 176.618 3.489 17518
1199 1 3 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.569 -4.061 17518
1200 1 3 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.362 -0.708 17518
1201 1 3 . 1 1 14 14 GLY N N 433 112.761 112.761 112.445 0.316 17518
1202 1 3 . 1 1 14 14 GLY C C 433 174.180 174.180 174.486 -0.306 17518
1203 1 3 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.311 1.031 17518
1204 1 3 . 1 1 14 14 GLY H H 433 7.585 7.585 8.493 -0.908 17518
1205 1 3 . 1 1 15 15 PHE N N 434 121.529 121.529 119.092 2.437 17518
1206 1 3 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.624 0.067 17518
1207 1 3 . 1 1 15 15 PHE C C 434 175.899 175.899 175.093 0.806 17518
1208 1 3 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.071 -1.914 17518
1209 1 3 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.557 -2.086 17518
1210 1 3 . 1 1 15 15 PHE H H 434 8.454 8.454 8.048 0.406 17518
1211 1 3 . 1 1 16 16 ASN N N 435 117.583 117.583 114.747 2.836 17518
1212 1 3 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.609 -0.210 17518
1213 1 3 . 1 1 16 16 ASN C C 435 176.259 176.259 174.150 2.109 17518
1214 1 3 . 1 1 16 16 ASN CA C 435 56.521 56.521 53.712 2.809 17518
1215 1 3 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.496 0.870 17518
1216 1 3 . 1 1 16 16 ASN H H 435 8.513 8.513 8.556 -0.043 17518
1217 1 3 . 1 1 17 17 SER N N 436 112.889 112.889 116.906 -4.017 17518
1218 1 3 . 1 1 17 17 SER HA H 436 4.798 4.798 4.887 -0.089 17518
1219 1 3 . 1 1 17 17 SER C C 436 171.151 171.151 171.719 -0.568 17518
1220 1 3 . 1 1 17 17 SER CA C 436 53.721 53.721 55.808 -2.087 17518
1221 1 3 . 1 1 17 17 SER CB C 436 63.834 63.834 64.208 -0.374 17518
1222 1 3 . 1 1 17 17 SER H H 436 8.315 8.315 8.326 -0.011 17518
1223 1 3 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.383 0.179 17518
1224 1 3 . 1 1 18 18 PRO C C 437 175.812 175.812 175.495 0.317 17518
1225 1 3 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.305 0.312 17518
1226 1 3 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.695 0.079 17518
1227 1 3 . 1 1 19 19 TYR N N 438 122.060 122.060 119.596 2.464 17518
1228 1 3 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.836 -0.006 17518
1229 1 3 . 1 1 19 19 TYR C C 438 174.732 174.732 175.137 -0.405 17518
1230 1 3 . 1 1 19 19 TYR CA C 438 56.729 56.729 57.682 -0.953 17518
1231 1 3 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.412 -0.654 17518
1232 1 3 . 1 1 19 19 TYR H H 438 9.072 9.072 8.864 0.208 17518
1233 1 3 . 1 1 20 20 ILE N N 439 118.018 118.018 119.746 -1.728 17518
1234 1 3 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.906 0.082 17518
1235 1 3 . 1 1 20 20 ILE C C 439 171.341 171.341 174.076 -2.735 17518
1236 1 3 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.581 -1.008 17518
1237 1 3 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.353 0.305 17518
1238 1 3 . 1 1 20 20 ILE H H 439 9.164 9.164 9.079 0.084 17518
1239 1 3 . 1 1 21 21 HIS N N 440 133.346 133.346 129.586 3.760 17518
1240 1 3 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.903 0.472 17518
1241 1 3 . 1 1 21 21 HIS C C 440 174.947 174.947 174.050 0.897 17518
1242 1 3 . 1 1 21 21 HIS CA C 440 53.801 53.801 53.964 -0.163 17518
1243 1 3 . 1 1 21 21 HIS CB C 440 35.001 35.001 31.565 3.436 17518
1244 1 3 . 1 1 21 21 HIS H H 440 8.843 8.843 8.288 0.555 17518
1245 1 3 . 1 1 22 22 TYR N N 441 121.863 121.863 123.056 -1.193 17518
1246 1 3 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.749 0.308 17518
1247 1 3 . 1 1 22 22 TYR C C 441 173.567 173.567 173.478 0.089 17518
1248 1 3 . 1 1 22 22 TYR CA C 441 56.693 56.693 55.285 1.408 17518
1249 1 3 . 1 1 22 22 TYR CB C 441 42.796 42.796 42.094 0.702 17518
1250 1 3 . 1 1 22 22 TYR H H 441 8.231 8.231 7.948 0.283 17518
1251 1 3 . 1 1 23 23 ARG N N 442 116.788 116.788 120.954 -4.166 17518
1252 1 3 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.872 -0.241 17518
1253 1 3 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.790 -0.430 17518
1254 1 3 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.607 -1.293 17518
1255 1 3 . 1 1 23 23 ARG H H 442 8.456 8.456 9.139 -0.683 17518
1256 1 3 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.532 -0.025 17518
1257 1 3 . 1 1 24 24 PRO C C 443 176.258 176.258 175.959 0.299 17518
1258 1 3 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.987 0.257 17518
1259 1 3 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.252 -0.056 17518
1260 1 3 . 1 1 25 25 ALA N N 444 125.666 125.666 125.996 -0.330 17518
1261 1 3 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.935 0.023 17518
1262 1 3 . 1 1 25 25 ALA C C 444 179.221 179.221 177.647 1.574 17518
1263 1 3 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.362 0.818 17518
1264 1 3 . 1 1 25 25 ALA CB C 444 18.420 18.420 18.155 0.265 17518
1265 1 3 . 1 1 25 25 ALA H H 444 8.230 8.230 8.187 0.043 17518
1266 1 3 . 1 1 26 26 GLY N N 445 112.217 112.217 109.944 2.273 17518
1267 1 3 . 1 1 26 26 GLY C C 445 174.734 174.734 174.465 0.269 17518
1268 1 3 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.624 1.038 17518
1269 1 3 . 1 1 26 26 GLY H H 445 8.591 8.591 7.870 0.721 17518
1270 1 3 . 1 1 27 27 GLY N N 446 109.489 109.489 109.395 0.094 17518
1271 1 3 . 1 1 27 27 GLY C C 446 173.379 173.379 173.043 0.336 17518
1272 1 3 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.205 -0.088 17518
1273 1 3 . 1 1 27 27 GLY H H 446 8.380 8.380 8.501 -0.121 17518
1274 1 3 . 1 1 28 28 SER N N 447 117.275 117.275 114.533 2.742 17518
1275 1 3 . 1 1 28 28 SER HA H 447 4.637 4.637 4.517 0.120 17518
1276 1 3 . 1 1 28 28 SER C C 447 173.759 173.759 173.408 0.351 17518
1277 1 3 . 1 1 28 28 SER CA C 447 57.410 57.410 57.581 -0.171 17518
1278 1 3 . 1 1 28 28 SER CB C 447 65.022 65.022 65.491 -0.469 17518
1279 1 3 . 1 1 28 28 SER H H 447 8.585 8.585 8.248 0.337 17518
1280 1 3 . 1 1 29 29 TRP N N 448 123.426 123.426 122.223 1.203 17518
1281 1 3 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.513 -0.120 17518
1282 1 3 . 1 1 29 29 TRP C C 448 178.997 178.997 177.424 1.573 17518
1283 1 3 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.697 0.469 17518
1284 1 3 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.350 0.256 17518
1285 1 3 . 1 1 29 29 TRP H H 448 8.346 8.346 8.490 -0.144 17518
1286 1 3 . 1 1 30 30 THR N N 449 111.168 111.168 112.898 -1.730 17518
1287 1 3 . 1 1 30 30 THR HA H 449 3.978 3.978 4.381 -0.403 17518
1288 1 3 . 1 1 30 30 THR C C 449 174.707 174.707 174.084 0.623 17518
1289 1 3 . 1 1 30 30 THR CA C 449 61.317 61.317 60.527 0.790 17518
1290 1 3 . 1 1 30 30 THR CB C 449 70.526 70.526 69.905 0.621 17518
1291 1 3 . 1 1 30 30 THR H H 449 7.888 7.888 8.595 -0.707 17518
1292 1 3 . 1 1 31 31 ALA N N 450 122.982 122.982 124.802 -1.820 17518
1293 1 3 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.096 0.303 17518
1294 1 3 . 1 1 31 31 ALA C C 450 178.443 178.443 176.946 1.497 17518
1295 1 3 . 1 1 31 31 ALA CA C 450 51.884 51.884 52.089 -0.205 17518
1296 1 3 . 1 1 31 31 ALA CB C 450 18.061 18.061 17.808 0.253 17518
1297 1 3 . 1 1 31 31 ALA H H 450 8.383 8.383 8.276 0.107 17518
1298 1 3 . 1 1 32 32 ALA N N 451 129.780 129.780 127.228 2.552 17518
1299 1 3 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.099 -0.241 17518
1300 1 3 . 1 1 32 32 ALA C C 451 175.997 175.997 176.071 -0.074 17518
1301 1 3 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.632 1.179 17518
1302 1 3 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.816 -2.570 17518
1303 1 3 . 1 1 32 32 ALA H H 451 8.778 8.778 7.884 0.894 17518
1304 1 3 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.320 -0.476 17518
1305 1 3 . 1 1 33 33 PRO C C 452 173.297 173.297 176.954 -3.657 17518
1306 1 3 . 1 1 33 33 PRO CA C 452 63.732 63.732 61.996 1.736 17518
1307 1 3 . 1 1 33 33 PRO CB C 452 33.646 33.646 32.983 0.663 17518
1308 1 3 . 1 1 34 34 GLY N N 453 112.150 112.150 110.818 1.332 17518
1309 1 3 . 1 1 34 34 GLY C C 453 174.011 174.011 174.105 -0.094 17518
1310 1 3 . 1 1 34 34 GLY CA C 453 43.995 43.995 45.627 -1.631 17518
1311 1 3 . 1 1 34 34 GLY H H 453 8.685 8.685 7.948 0.737 17518
1312 1 3 . 1 1 35 35 VAL N N 454 123.276 123.276 120.201 3.075 17518
1313 1 3 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.400 -0.054 17518
1314 1 3 . 1 1 35 35 VAL C C 454 174.782 174.782 174.292 0.490 17518
1315 1 3 . 1 1 35 35 VAL CA C 454 60.959 60.959 59.946 1.013 17518
1316 1 3 . 1 1 35 35 VAL CB C 454 34.857 34.857 34.716 0.141 17518
1317 1 3 . 1 1 35 35 VAL H H 454 9.287 9.287 8.262 1.025 17518
1318 1 3 . 1 1 36 36 LYS N N 455 128.135 128.135 127.409 0.726 17518
1319 1 3 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.238 -1.177 17518
1320 1 3 . 1 1 36 36 LYS C C 455 176.438 176.438 176.055 0.383 17518
1321 1 3 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.162 1.061 17518
1322 1 3 . 1 1 36 36 LYS CB C 455 32.619 32.619 32.160 0.459 17518
1323 1 3 . 1 1 36 36 LYS H H 455 8.443 8.443 8.448 -0.005 17518
1324 1 3 . 1 1 37 37 MET N N 456 124.850 124.850 127.492 -2.642 17518
1325 1 3 . 1 1 37 37 MET HA H 456 4.207 4.207 4.163 0.044 17518
1326 1 3 . 1 1 37 37 MET C C 456 175.590 175.590 175.966 -0.376 17518
1327 1 3 . 1 1 37 37 MET CA C 456 56.409 56.409 57.380 -0.971 17518
1328 1 3 . 1 1 37 37 MET CB C 456 34.978 34.978 31.964 3.014 17518
1329 1 3 . 1 1 37 37 MET H H 456 8.121 8.121 8.475 -0.354 17518
1330 1 3 . 1 1 38 38 GLN N N 457 121.555 121.555 122.088 -0.533 17518
1331 1 3 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.070 0.323 17518
1332 1 3 . 1 1 38 38 GLN C C 457 175.737 175.737 175.861 -0.124 17518
1333 1 3 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.117 -1.334 17518
1334 1 3 . 1 1 38 38 GLN CB C 457 30.307 30.307 28.781 1.526 17518
1335 1 3 . 1 1 38 38 GLN H H 457 8.441 8.441 8.641 -0.200 17518
1336 1 3 . 1 1 39 39 ASP N N 458 121.629 121.629 118.790 2.839 17518
1337 1 3 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.664 0.067 17518
1338 1 3 . 1 1 39 39 ASP C C 458 176.733 176.733 175.261 1.472 17518
1339 1 3 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.207 2.050 17518
1340 1 3 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.936 -0.578 17518
1341 1 3 . 1 1 39 39 ASP H H 458 8.720 8.720 8.424 0.296 17518
1342 1 3 . 1 1 40 40 ALA N N 459 122.646 122.646 125.577 -2.931 17518
1343 1 3 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.651 -0.359 17518
1344 1 3 . 1 1 40 40 ALA C C 459 175.201 175.201 177.759 -2.558 17518
1345 1 3 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.222 0.334 17518
1346 1 3 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.676 2.272 17518
1347 1 3 . 1 1 40 40 ALA H H 459 8.423 8.423 8.862 -0.439 17518
1348 1 3 . 1 1 41 41 GLU N N 460 120.190 120.190 126.237 -6.047 17518
1349 1 3 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.889 0.418 17518
1350 1 3 . 1 1 41 41 GLU C C 460 174.722 174.722 177.748 -3.026 17518
1351 1 3 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.443 -0.924 17518
1352 1 3 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.125 -1.789 17518
1353 1 3 . 1 1 41 41 GLU H H 460 10.341 10.341 8.857 1.484 17518
1354 1 3 . 1 1 42 42 ILE N N 461 119.473 119.473 119.248 0.225 17518
1355 1 3 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.640 0.671 17518
1356 1 3 . 1 1 42 42 ILE C C 461 174.959 174.959 176.480 -1.521 17518
1357 1 3 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.303 -4.337 17518
1358 1 3 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.120 2.625 17518
1359 1 3 . 1 1 42 42 ILE H H 461 6.466 6.466 7.994 -1.528 17518
1360 1 3 . 1 1 43 43 SER N N 462 121.292 121.292 111.524 9.768 17518
1361 1 3 . 1 1 43 43 SER HA H 462 4.297 4.297 4.417 -0.120 17518
1362 1 3 . 1 1 43 43 SER C C 462 175.624 175.624 173.566 2.058 17518
1363 1 3 . 1 1 43 43 SER CA C 462 60.112 60.112 58.262 1.850 17518
1364 1 3 . 1 1 43 43 SER CB C 462 63.116 63.116 62.949 0.167 17518
1365 1 3 . 1 1 43 43 SER H H 462 8.584 8.584 7.647 0.937 17518
1366 1 3 . 1 1 44 44 GLY N N 463 111.896 111.896 107.019 4.877 17518
1367 1 3 . 1 1 44 44 GLY C C 463 173.823 173.823 173.667 0.156 17518
1368 1 3 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.422 -0.543 17518
1369 1 3 . 1 1 44 44 GLY H H 463 8.623 8.623 7.867 0.756 17518
1370 1 3 . 1 1 45 45 TYR N N 464 116.379 116.379 119.964 -3.585 17518
1371 1 3 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.702 0.996 17518
1372 1 3 . 1 1 45 45 TYR C C 464 175.693 175.693 173.376 2.317 17518
1373 1 3 . 1 1 45 45 TYR CA C 464 56.612 56.612 55.392 1.220 17518
1374 1 3 . 1 1 45 45 TYR CB C 464 41.924 41.924 41.879 0.045 17518
1375 1 3 . 1 1 45 45 TYR H H 464 7.803 7.803 8.028 -0.225 17518
1376 1 3 . 1 1 46 46 ALA N N 465 126.206 126.206 120.398 5.808 17518
1377 1 3 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.305 0.032 17518
1378 1 3 . 1 1 46 46 ALA C C 465 176.129 176.129 175.882 0.247 17518
1379 1 3 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.731 0.725 17518
1380 1 3 . 1 1 46 46 ALA CB C 465 24.346 24.346 21.833 2.513 17518
1381 1 3 . 1 1 46 46 ALA H H 465 9.910 9.910 9.044 0.866 17518
1382 1 3 . 1 1 47 47 LYS N N 466 120.226 120.226 121.355 -1.129 17518
1383 1 3 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.156 0.516 17518
1384 1 3 . 1 1 47 47 LYS C C 466 173.880 173.880 174.644 -0.764 17518
1385 1 3 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.335 0.071 17518
1386 1 3 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.634 0.526 17518
1387 1 3 . 1 1 47 47 LYS H H 466 9.373 9.373 8.415 0.958 17518
1388 1 3 . 1 1 48 48 ILE N N 467 120.505 120.505 121.722 -1.217 17518
1389 1 3 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.577 -0.174 17518
1390 1 3 . 1 1 48 48 ILE C C 467 171.247 171.247 173.098 -1.851 17518
1391 1 3 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.072 0.310 17518
1392 1 3 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.759 -0.225 17518
1393 1 3 . 1 1 48 48 ILE H H 467 8.085 8.085 8.986 -0.901 17518
1394 1 3 . 1 1 49 49 THR N N 468 122.247 122.247 124.573 -2.326 17518
1395 1 3 . 1 1 49 49 THR HA H 468 5.301 5.301 5.384 -0.083 17518
1396 1 3 . 1 1 49 49 THR C C 468 173.694 173.694 173.902 -0.208 17518
1397 1 3 . 1 1 49 49 THR CA C 468 61.871 61.871 60.660 1.211 17518
1398 1 3 . 1 1 49 49 THR CB C 468 70.649 70.649 69.948 0.701 17518
1399 1 3 . 1 1 49 49 THR H H 468 7.954 7.954 8.324 -0.370 17518
1400 1 3 . 1 1 50 50 VAL N N 469 126.076 126.076 124.705 1.371 17518
1401 1 3 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.142 -0.031 17518
1402 1 3 . 1 1 50 50 VAL C C 469 173.826 173.826 174.085 -0.259 17518
1403 1 3 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.756 -0.557 17518
1404 1 3 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.669 -0.620 17518
1405 1 3 . 1 1 50 50 VAL H H 469 9.242 9.242 9.085 0.157 17518
1406 1 3 . 1 1 51 51 ASP N N 470 126.346 126.346 125.162 1.184 17518
1407 1 3 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.792 0.121 17518
1408 1 3 . 1 1 51 51 ASP C C 470 177.013 177.013 176.405 0.608 17518
1409 1 3 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.160 -1.146 17518
1410 1 3 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.033 -0.115 17518
1411 1 3 . 1 1 51 51 ASP H H 470 8.476 8.476 8.591 -0.115 17518
1412 1 3 . 1 1 52 52 ILE N N 471 118.935 118.935 116.949 1.986 17518
1413 1 3 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.593 -0.055 17518
1414 1 3 . 1 1 52 52 ILE C C 471 176.991 176.991 176.137 0.854 17518
1415 1 3 . 1 1 52 52 ILE CA C 471 59.992 59.992 59.732 0.260 17518
1416 1 3 . 1 1 52 52 ILE CB C 471 38.002 38.002 39.087 -1.085 17518
1417 1 3 . 1 1 52 52 ILE H H 471 8.728 8.728 8.133 0.595 17518
1418 1 3 . 1 1 53 53 GLY N N 472 114.498 114.498 109.972 4.526 17518
1419 1 3 . 1 1 53 53 GLY C C 472 174.971 174.971 174.334 0.637 17518
1420 1 3 . 1 1 53 53 GLY CA C 472 47.668 47.668 47.106 0.562 17518
1421 1 3 . 1 1 53 53 GLY H H 472 9.078 9.078 8.773 0.305 17518
1422 1 3 . 1 1 54 54 SER N N 473 120.546 120.546 116.408 4.138 17518
1423 1 3 . 1 1 54 54 SER HA H 473 4.426 4.426 4.281 0.145 17518
1424 1 3 . 1 1 54 54 SER C C 473 174.975 174.975 172.853 2.122 17518
1425 1 3 . 1 1 54 54 SER CA C 473 58.417 58.417 58.409 0.008 17518
1426 1 3 . 1 1 54 54 SER CB C 473 63.632 63.632 63.922 -0.290 17518
1427 1 3 . 1 1 54 54 SER H H 473 8.808 8.808 8.218 0.590 17518
1428 1 3 . 1 1 55 55 ALA N N 474 125.402 125.402 124.470 0.932 17518
1429 1 3 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.780 -0.414 17518
1430 1 3 . 1 1 55 55 ALA C C 474 176.116 176.116 176.141 -0.025 17518
1431 1 3 . 1 1 55 55 ALA CA C 474 52.372 52.372 50.953 1.419 17518
1432 1 3 . 1 1 55 55 ALA CB C 474 20.315 20.315 21.109 -0.794 17518
1433 1 3 . 1 1 55 55 ALA H H 474 7.738 7.738 8.144 -0.406 17518
1434 1 3 . 1 1 56 56 SER N N 475 110.149 110.149 116.108 -5.959 17518
1435 1 3 . 1 1 56 56 SER HA H 475 4.539 4.539 4.304 0.235 17518
1436 1 3 . 1 1 56 56 SER C C 475 173.662 173.662 174.450 -0.788 17518
1437 1 3 . 1 1 56 56 SER CA C 475 58.121 58.121 60.162 -2.041 17518
1438 1 3 . 1 1 56 56 SER CB C 475 65.000 65.000 63.803 1.197 17518
1439 1 3 . 1 1 56 56 SER H H 475 8.756 8.756 8.696 0.060 17518
1440 1 3 . 1 1 57 57 GLN N N 476 117.023 117.023 117.258 -0.235 17518
1441 1 3 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.853 0.205 17518
1442 1 3 . 1 1 57 57 GLN C C 476 173.042 173.042 173.331 -0.289 17518
1443 1 3 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.269 -1.045 17518
1444 1 3 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.523 0.086 17518
1445 1 3 . 1 1 57 57 GLN H H 476 7.139 7.139 7.405 -0.266 17518
1446 1 3 . 1 1 58 58 LEU N N 477 121.156 121.156 121.194 -0.038 17518
1447 1 3 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.039 -0.293 17518
1448 1 3 . 1 1 58 58 LEU C C 477 173.922 173.922 174.193 -0.271 17518
1449 1 3 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.322 -0.814 17518
1450 1 3 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.761 0.519 17518
1451 1 3 . 1 1 58 58 LEU H H 477 9.149 9.149 9.299 -0.150 17518
1452 1 3 . 1 1 59 59 GLU N N 478 126.375 126.375 123.596 2.779 17518
1453 1 3 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.059 0.297 17518
1454 1 3 . 1 1 59 59 GLU C C 478 175.481 175.481 175.461 0.020 17518
1455 1 3 . 1 1 59 59 GLU CA C 478 54.597 54.597 55.254 -0.657 17518
1456 1 3 . 1 1 59 59 GLU CB C 478 32.759 32.759 32.529 0.230 17518
1457 1 3 . 1 1 59 59 GLU H H 478 8.558 8.558 9.061 -0.503 17518
1458 1 3 . 1 1 60 60 ALA N N 479 124.321 124.321 124.884 -0.563 17518
1459 1 3 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.702 0.090 17518
1460 1 3 . 1 1 60 60 ALA C C 479 174.955 174.955 175.292 -0.337 17518
1461 1 3 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.898 0.243 17518
1462 1 3 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.856 1.238 17518
1463 1 3 . 1 1 60 60 ALA H H 479 9.614 9.614 8.542 1.072 17518
1464 1 3 . 1 1 61 61 ALA N N 480 120.954 120.954 121.885 -0.931 17518
1465 1 3 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.010 -0.216 17518
1466 1 3 . 1 1 61 61 ALA C C 480 174.782 174.782 174.978 -0.196 17518
1467 1 3 . 1 1 61 61 ALA CA C 480 51.257 51.257 51.033 0.224 17518
1468 1 3 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.497 0.718 17518
1469 1 3 . 1 1 61 61 ALA H H 480 9.346 9.346 8.621 0.725 17518
1470 1 3 . 1 1 62 62 PHE N N 481 117.021 117.021 121.766 -4.745 17518
1471 1 3 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.894 0.990 17518
1472 1 3 . 1 1 62 62 PHE C C 481 175.044 175.044 173.040 2.004 17518
1473 1 3 . 1 1 62 62 PHE CA C 481 56.588 56.588 54.686 1.902 17518
1474 1 3 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.430 0.833 17518
1475 1 3 . 1 1 62 62 PHE H H 481 8.351 8.351 8.693 -0.342 17518
1476 1 3 . 1 1 63 63 ASN N N 482 116.362 116.362 121.788 -5.426 17518
1477 1 3 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.524 0.584 17518
1478 1 3 . 1 1 63 63 ASN C C 482 172.088 172.088 174.300 -2.212 17518
1479 1 3 . 1 1 63 63 ASN CA C 482 53.710 53.710 51.938 1.772 17518
1480 1 3 . 1 1 63 63 ASN CB C 482 41.348 41.348 40.502 0.846 17518
1481 1 3 . 1 1 63 63 ASN H H 482 9.077 9.077 8.414 0.663 17518
1482 1 3 . 1 1 64 64 ASP N N 483 118.002 118.002 120.753 -2.751 17518
1483 1 3 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.179 0.005 17518
1484 1 3 . 1 1 64 64 ASP C C 483 177.271 177.271 177.360 -0.089 17518
1485 1 3 . 1 1 64 64 ASP CA C 483 52.301 52.301 53.486 -1.185 17518
1486 1 3 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.784 1.103 17518
1487 1 3 . 1 1 64 64 ASP H H 483 7.482 7.482 8.133 -0.651 17518
1488 1 3 . 1 1 65 65 GLY N N 484 110.602 110.602 108.720 1.882 17518
1489 1 3 . 1 1 65 65 GLY C C 484 173.156 173.156 174.454 -1.298 17518
1490 1 3 . 1 1 65 65 GLY CA C 484 45.615 45.615 46.013 -0.398 17518
1491 1 3 . 1 1 65 65 GLY H H 484 8.696 8.696 8.200 0.496 17518
1492 1 3 . 1 1 66 66 ASN N N 485 120.867 120.867 118.723 2.144 17518
1493 1 3 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.649 0.055 17518
1494 1 3 . 1 1 66 66 ASN C C 485 174.442 174.442 175.852 -1.410 17518
1495 1 3 . 1 1 66 66 ASN CA C 485 52.311 52.311 54.151 -1.840 17518
1496 1 3 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.564 -0.073 17518
1497 1 3 . 1 1 66 66 ASN H H 485 8.371 8.371 7.994 0.377 17518
1498 1 3 . 1 1 67 67 ASN N N 486 113.518 113.518 113.002 0.516 17518
1499 1 3 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.707 -0.529 17518
1500 1 3 . 1 1 67 67 ASN C C 486 173.845 173.845 173.538 0.307 17518
1501 1 3 . 1 1 67 67 ASN CA C 486 54.486 54.486 54.089 0.397 17518
1502 1 3 . 1 1 67 67 ASN CB C 486 38.267 38.267 38.702 -0.435 17518
1503 1 3 . 1 1 67 67 ASN H H 486 8.700 8.700 8.482 0.218 17518
1504 1 3 . 1 1 68 68 ASN N N 487 118.464 118.464 121.339 -2.875 17518
1505 1 3 . 1 1 68 68 ASN HA H 487 5.058 5.058 4.884 0.174 17518
1506 1 3 . 1 1 68 68 ASN C C 487 173.449 173.449 174.244 -0.795 17518
1507 1 3 . 1 1 68 68 ASN CA C 487 53.268 53.268 53.914 -0.646 17518
1508 1 3 . 1 1 68 68 ASN CB C 487 38.813 38.813 38.589 0.224 17518
1509 1 3 . 1 1 68 68 ASN H H 487 7.975 7.975 8.596 -0.621 17518
1510 1 3 . 1 1 69 69 TRP N N 488 120.817 120.817 123.239 -2.422 17518
1511 1 3 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.880 -0.058 17518
1512 1 3 . 1 1 69 69 TRP C C 488 176.268 176.268 175.966 0.302 17518
1513 1 3 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.441 1.737 17518
1514 1 3 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.832 0.499 17518
1515 1 3 . 1 1 69 69 TRP H H 488 8.771 8.771 8.265 0.506 17518
1516 1 3 . 1 1 70 70 ASP N N 489 122.179 122.179 118.958 3.221 17518
1517 1 3 . 1 1 70 70 ASP HA H 489 5.196 5.196 4.975 0.221 17518
1518 1 3 . 1 1 70 70 ASP C C 489 175.441 175.441 174.527 0.914 17518
1519 1 3 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.492 -1.147 17518
1520 1 3 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.270 -1.302 17518
1521 1 3 . 1 1 70 70 ASP H H 489 9.795 9.795 8.877 0.918 17518
1522 1 3 . 1 1 71 71 SER N N 490 117.314 117.314 119.285 -1.971 17518
1523 1 3 . 1 1 71 71 SER HA H 490 5.084 5.084 4.296 0.788 17518
1524 1 3 . 1 1 71 71 SER C C 490 175.277 175.277 174.303 0.974 17518
1525 1 3 . 1 1 71 71 SER CA C 490 56.099 56.099 56.982 -0.883 17518
1526 1 3 . 1 1 71 71 SER CB C 490 66.550 66.550 65.058 1.492 17518
1527 1 3 . 1 1 71 71 SER H H 490 9.238 9.238 8.259 0.979 17518
1528 1 3 . 1 1 72 72 ASN N N 491 122.911 122.911 124.882 -1.971 17518
1529 1 3 . 1 1 72 72 ASN HA H 491 4.367 4.367 4.033 0.334 17518
1530 1 3 . 1 1 72 72 ASN C C 491 176.857 176.857 175.079 1.778 17518
1531 1 3 . 1 1 72 72 ASN CA C 491 53.192 53.192 54.474 -1.282 17518
1532 1 3 . 1 1 72 72 ASN CB C 491 35.574 35.574 37.545 -1.971 17518
1533 1 3 . 1 1 72 72 ASN H H 491 8.536 8.536 6.882 1.654 17518
1534 1 3 . 1 1 73 73 ASN N N 492 116.146 116.146 114.197 1.949 17518
1535 1 3 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.412 -0.027 17518
1536 1 3 . 1 1 73 73 ASN C C 492 176.335 176.335 174.566 1.769 17518
1537 1 3 . 1 1 73 73 ASN CA C 492 54.488 54.488 55.736 -1.248 17518
1538 1 3 . 1 1 73 73 ASN CB C 492 37.331 37.331 37.855 -0.524 17518
1539 1 3 . 1 1 73 73 ASN H H 492 9.086 9.086 8.364 0.722 17518
1540 1 3 . 1 1 74 74 THR N N 493 110.420 110.420 113.102 -2.682 17518
1541 1 3 . 1 1 74 74 THR HA H 493 3.779 3.779 4.365 -0.586 17518
1542 1 3 . 1 1 74 74 THR C C 493 173.194 173.194 172.690 0.504 17518
1543 1 3 . 1 1 74 74 THR CA C 493 65.027 65.027 63.370 1.657 17518
1544 1 3 . 1 1 74 74 THR CB C 493 69.730 69.730 68.139 1.591 17518
1545 1 3 . 1 1 74 74 THR H H 493 7.782 7.782 8.283 -0.501 17518
1546 1 3 . 1 1 75 75 LYS N N 494 121.968 121.968 120.956 1.012 17518
1547 1 3 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.373 -0.306 17518
1548 1 3 . 1 1 75 75 LYS C C 494 177.470 177.470 174.287 3.183 17518
1549 1 3 . 1 1 75 75 LYS CA C 494 58.009 58.009 57.052 0.957 17518
1550 1 3 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.725 -3.139 17518
1551 1 3 . 1 1 75 75 LYS H H 494 7.652 7.652 8.744 -1.092 17518
1552 1 3 . 1 1 76 76 ASN N N 495 108.525 108.525 115.224 -6.699 17518
1553 1 3 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.525 -0.595 17518
1554 1 3 . 1 1 76 76 ASN C C 495 172.085 172.085 173.642 -1.557 17518
1555 1 3 . 1 1 76 76 ASN CA C 495 54.413 54.413 52.844 1.569 17518
1556 1 3 . 1 1 76 76 ASN CB C 495 39.048 39.048 39.532 -0.484 17518
1557 1 3 . 1 1 76 76 ASN H H 495 8.197 8.197 7.444 0.753 17518
1558 1 3 . 1 1 77 77 TYR N N 496 118.076 118.076 121.265 -3.189 17518
1559 1 3 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.562 0.231 17518
1560 1 3 . 1 1 77 77 TYR C C 496 175.074 175.074 175.101 -0.027 17518
1561 1 3 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.586 0.086 17518
1562 1 3 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.305 1.480 17518
1563 1 3 . 1 1 77 77 TYR H H 496 9.133 9.133 8.683 0.450 17518
1564 1 3 . 1 1 78 78 SER N N 497 116.400 116.400 114.903 1.497 17518
1565 1 3 . 1 1 78 78 SER HA H 497 5.345 5.345 4.560 0.785 17518
1566 1 3 . 1 1 78 78 SER C C 497 173.130 173.130 172.886 0.244 17518
1567 1 3 . 1 1 78 78 SER CA C 497 57.191 57.191 56.484 0.707 17518
1568 1 3 . 1 1 78 78 SER CB C 497 64.293 64.293 64.309 -0.016 17518
1569 1 3 . 1 1 78 78 SER H H 497 8.204 8.204 8.206 -0.002 17518
1570 1 3 . 1 1 79 79 PHE N N 498 123.023 123.023 124.756 -1.733 17518
1571 1 3 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.849 -0.039 17518
1572 1 3 . 1 1 79 79 PHE C C 498 175.275 175.275 174.272 1.003 17518
1573 1 3 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.283 0.724 17518
1574 1 3 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.779 -0.790 17518
1575 1 3 . 1 1 79 79 PHE H H 498 9.054 9.054 9.282 -0.228 17518
1576 1 3 . 1 1 80 80 SER N N 499 117.002 117.002 116.338 0.664 17518
1577 1 3 . 1 1 80 80 SER HA H 499 4.997 4.997 4.860 0.137 17518
1578 1 3 . 1 1 80 80 SER C C 499 173.356 173.356 175.233 -1.877 17518
1579 1 3 . 1 1 80 80 SER CA C 499 57.357 57.357 57.200 0.157 17518
1580 1 3 . 1 1 80 80 SER CB C 499 65.301 65.301 65.316 -0.015 17518
1581 1 3 . 1 1 80 80 SER H H 499 8.804 8.804 8.467 0.337 17518
1582 1 3 . 1 1 81 81 THR N N 500 112.529 112.529 114.450 -1.921 17518
1583 1 3 . 1 1 81 81 THR HA H 500 3.820 3.820 3.958 -0.138 17518
1584 1 3 . 1 1 81 81 THR C C 500 174.378 174.378 175.808 -1.430 17518
1585 1 3 . 1 1 81 81 THR CA C 500 64.220 64.220 63.575 0.645 17518
1586 1 3 . 1 1 81 81 THR CB C 500 69.475 69.475 69.030 0.445 17518
1587 1 3 . 1 1 81 81 THR H H 500 7.559 7.559 8.149 -0.590 17518
1588 1 3 . 1 1 82 82 GLY N N 501 112.234 112.234 113.319 -1.085 17518
1589 1 3 . 1 1 82 82 GLY C C 501 174.342 174.342 172.422 1.920 17518
1590 1 3 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.674 -0.879 17518
1591 1 3 . 1 1 82 82 GLY H H 501 8.409 8.409 8.505 -0.096 17518
1592 1 3 . 1 1 83 83 THR N N 502 120.411 120.411 118.667 1.744 17518
1593 1 3 . 1 1 83 83 THR HA H 502 5.487 5.487 5.079 0.408 17518
1594 1 3 . 1 1 83 83 THR C C 502 174.798 174.798 173.293 1.505 17518
1595 1 3 . 1 1 83 83 THR CA C 502 62.497 62.497 60.636 1.861 17518
1596 1 3 . 1 1 83 83 THR CB C 502 69.978 69.978 71.139 -1.161 17518
1597 1 3 . 1 1 83 83 THR H H 502 8.729 8.729 8.173 0.556 17518
1598 1 3 . 1 1 84 84 SER N N 503 123.023 123.023 120.730 2.293 17518
1599 1 3 . 1 1 84 84 SER HA H 503 5.409 5.409 5.121 0.288 17518
1600 1 3 . 1 1 84 84 SER C C 503 171.976 171.976 172.930 -0.954 17518
1601 1 3 . 1 1 84 84 SER CA C 503 58.675 58.675 56.712 1.963 17518
1602 1 3 . 1 1 84 84 SER CB C 503 67.607 67.607 66.173 1.434 17518
1603 1 3 . 1 1 84 84 SER H H 503 9.121 9.121 9.033 0.088 17518
1604 1 3 . 1 1 85 85 THR N N 504 118.388 118.388 119.048 -0.660 17518
1605 1 3 . 1 1 85 85 THR HA H 504 5.241 5.241 5.012 0.229 17518
1606 1 3 . 1 1 85 85 THR C C 504 172.930 172.930 172.821 0.109 17518
1607 1 3 . 1 1 85 85 THR CA C 504 62.672 62.672 62.334 0.338 17518
1608 1 3 . 1 1 85 85 THR CB C 504 70.641 70.641 71.187 -0.546 17518
1609 1 3 . 1 1 85 85 THR H H 504 9.445 9.445 8.743 0.702 17518
1610 1 3 . 1 1 86 86 TYR N N 505 129.195 129.195 129.185 0.010 17518
1611 1 3 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.349 -0.240 17518
1612 1 3 . 1 1 86 86 TYR C C 505 173.063 173.063 173.757 -0.694 17518
1613 1 3 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.934 1.346 17518
1614 1 3 . 1 1 86 86 TYR CB C 505 41.660 41.660 41.586 0.074 17518
1615 1 3 . 1 1 86 86 TYR H H 505 9.858 9.858 9.610 0.248 17518
1616 1 3 . 1 1 87 87 THR N N 506 124.861 124.861 123.492 1.369 17518
1617 1 3 . 1 1 87 87 THR HA H 506 4.288 4.288 4.970 -0.682 17518
1618 1 3 . 1 1 87 87 THR C C 506 171.472 171.472 172.140 -0.668 17518
1619 1 3 . 1 1 87 87 THR CA C 506 58.917 58.917 59.234 -0.317 17518
1620 1 3 . 1 1 87 87 THR CB C 506 70.055 70.055 70.767 -0.712 17518
1621 1 3 . 1 1 87 87 THR H H 506 7.906 7.906 8.945 -1.039 17518
1622 1 3 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.730 -0.724 17518
1623 1 3 . 1 1 88 88 PRO C C 507 176.975 176.975 177.212 -0.237 17518
1624 1 3 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.328 0.670 17518
1625 1 3 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.819 -0.445 17518
1626 1 3 . 1 1 89 89 GLY N N 508 108.823 108.823 109.433 -0.610 17518
1627 1 3 . 1 1 89 89 GLY C C 508 173.757 173.757 174.450 -0.693 17518
1628 1 3 . 1 1 89 89 GLY CA C 508 44.078 44.078 45.072 -0.994 17518
1629 1 3 . 1 1 89 89 GLY H H 508 8.294 8.294 8.674 -0.380 17518
1630 1 3 . 1 1 90 90 ASN N N 509 117.850 117.850 124.041 -6.191 17518
1631 1 3 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.506 0.217 17518
1632 1 3 . 1 1 90 90 ASN C C 509 176.078 176.078 175.082 0.996 17518
1633 1 3 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.674 -0.768 17518
1634 1 3 . 1 1 90 90 ASN CB C 509 39.922 39.922 37.849 2.073 17518
1635 1 3 . 1 1 90 90 ASN H H 509 8.434 8.434 8.552 -0.118 17518
1636 1 3 . 1 1 91 91 SER N N 510 114.973 114.973 117.218 -2.245 17518
1637 1 3 . 1 1 91 91 SER HA H 510 4.133 4.133 4.235 -0.102 17518
1638 1 3 . 1 1 91 91 SER C C 510 174.773 174.773 175.692 -0.919 17518
1639 1 3 . 1 1 91 91 SER CA C 510 58.662 58.662 59.677 -1.015 17518
1640 1 3 . 1 1 91 91 SER CB C 510 62.209 62.209 63.430 -1.221 17518
1641 1 3 . 1 1 91 91 SER H H 510 8.819 8.819 8.775 0.044 17518
1642 1 3 . 1 1 92 92 GLY N N 511 108.552 108.552 113.562 -5.010 17518
1643 1 3 . 1 1 92 92 GLY C C 511 174.613 174.613 174.501 0.112 17518
1644 1 3 . 1 1 92 92 GLY CA C 511 45.263 45.263 46.077 -0.814 17518
1645 1 3 . 1 1 92 92 GLY H H 511 8.472 8.472 8.960 -0.488 17518
1646 1 3 . 1 1 93 93 ASN N N 512 119.035 119.035 122.348 -3.313 17518
1647 1 3 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.695 0.075 17518
1648 1 3 . 1 1 93 93 ASN C C 512 174.627 174.627 174.148 0.479 17518
1649 1 3 . 1 1 93 93 ASN CA C 512 52.833 52.833 53.641 -0.808 17518
1650 1 3 . 1 1 93 93 ASN CB C 512 39.771 39.771 39.365 0.406 17518
1651 1 3 . 1 1 93 93 ASN H H 512 7.985 7.985 8.418 -0.433 17518
1652 1 3 . 1 1 94 94 ALA N N 513 123.854 123.854 122.591 1.263 17518
1653 1 3 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.522 0.082 17518
1654 1 3 . 1 1 94 94 ALA C C 513 178.511 178.511 176.825 1.686 17518
1655 1 3 . 1 1 94 94 ALA CA C 513 52.699 52.699 51.743 0.956 17518
1656 1 3 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.057 0.351 17518
1657 1 3 . 1 1 94 94 ALA H H 513 8.442 8.442 8.334 0.108 17518
1658 1 3 . 1 1 95 95 GLY N N 514 108.880 108.880 112.209 -3.329 17518
1659 1 3 . 1 1 95 95 GLY C C 514 173.104 173.104 174.270 -1.166 17518
1660 1 3 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.655 -0.760 17518
1661 1 3 . 1 1 95 95 GLY H H 514 8.353 8.353 8.567 -0.214 17518
1662 1 3 . 1 1 96 96 THR N N 515 110.444 110.444 115.435 -4.991 17518
1663 1 3 . 1 1 96 96 THR HA H 515 4.504 4.504 4.416 0.088 17518
1664 1 3 . 1 1 96 96 THR C C 515 173.214 173.214 173.485 -0.271 17518
1665 1 3 . 1 1 96 96 THR CA C 515 60.947 60.947 60.889 0.058 17518
1666 1 3 . 1 1 96 96 THR CB C 515 72.111 72.111 70.420 1.691 17518
1667 1 3 . 1 1 96 96 THR H H 515 7.839 7.839 8.316 -0.477 17518
1668 1 3 . 1 1 97 97 ILE N N 516 126.770 126.770 124.336 2.434 17518
1669 1 3 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.087 -0.116 17518
1670 1 3 . 1 1 97 97 ILE C C 516 176.061 176.061 175.842 0.219 17518
1671 1 3 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.408 1.637 17518
1672 1 3 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.573 -0.831 17518
1673 1 3 . 1 1 97 97 ILE H H 516 8.733 8.733 8.353 0.380 17518
1674 1 3 . 1 1 98 98 THR N N 517 121.307 121.307 119.206 2.101 17518
1675 1 3 . 1 1 98 98 THR HA H 517 4.693 4.693 4.701 -0.008 17518
1676 1 3 . 1 1 98 98 THR C C 517 173.622 173.622 173.206 0.416 17518
1677 1 3 . 1 1 98 98 THR CA C 517 59.692 59.692 59.883 -0.191 17518
1678 1 3 . 1 1 98 98 THR CB C 517 71.290 71.290 70.927 0.363 17518
1679 1 3 . 1 1 98 98 THR H H 517 9.270 9.270 8.973 0.297 17518
1680 1 3 . 1 1 99 99 SER N N 518 118.544 118.544 116.449 2.095 17518
1681 1 3 . 1 1 99 99 SER HA H 518 4.548 4.548 4.611 -0.063 17518
1682 1 3 . 1 1 99 99 SER C C 518 175.405 175.405 174.096 1.309 17518
1683 1 3 . 1 1 99 99 SER CA C 518 59.662 59.662 57.261 2.401 17518
1684 1 3 . 1 1 99 99 SER CB C 518 63.836 63.836 62.790 1.046 17518
1685 1 3 . 1 1 99 99 SER H H 518 8.667 8.667 8.458 0.209 17518
1686 1 3 . 1 1 100 100 GLY N N 519 113.982 113.982 110.898 3.084 17518
1687 1 3 . 1 1 100 100 GLY C C 519 171.714 171.714 173.150 -1.436 17518
1688 1 3 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.281 -0.208 17518
1689 1 3 . 1 1 100 100 GLY H H 519 8.443 8.443 7.582 0.861 17518
1690 1 3 . 1 1 101 101 ALA N N 520 120.741 120.741 126.298 -5.557 17518
1691 1 3 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.856 -1.249 17518
1692 1 3 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.838 -1.375 17518
1693 1 3 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.119 -0.988 17518
1694 1 3 . 1 1 101 101 ALA H H 520 7.908 7.908 8.308 -0.400 17518
1695 1 3 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.429 -0.387 17518
1696 1 3 . 1 1 102 102 PRO C C 521 175.467 175.467 176.707 -1.240 17518
1697 1 3 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.755 -0.057 17518
1698 1 3 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.494 -0.630 17518
1699 1 3 . 1 1 103 103 ALA N N 522 122.930 122.930 126.021 -3.091 17518
1700 1 3 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.531 -0.418 17518
1701 1 3 . 1 1 103 103 ALA C C 522 177.009 177.009 177.331 -0.322 17518
1702 1 3 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.766 0.190 17518
1703 1 3 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.256 1.433 17518
1704 1 3 . 1 1 103 103 ALA H H 522 7.993 7.993 8.547 -0.554 17518
1705 1 4 . 1 1 2 2 GLY C C 421 174.167 174.167 174.249 -0.082 17518
1706 1 4 . 1 1 2 2 GLY CA C 421 45.259 45.259 45.063 0.196 17518
1707 1 4 . 1 1 3 3 THR N N 422 113.380 113.380 114.827 -1.447 17518
1708 1 4 . 1 1 3 3 THR HA H 422 4.348 4.348 4.439 -0.091 17518
1709 1 4 . 1 1 3 3 THR C C 422 174.773 174.773 174.235 0.538 17518
1710 1 4 . 1 1 3 3 THR CA C 422 61.357 61.357 61.078 0.279 17518
1711 1 4 . 1 1 3 3 THR CB C 422 69.791 69.791 70.343 -0.552 17518
1712 1 4 . 1 1 3 3 THR H H 422 8.099 8.099 7.640 0.459 17518
1713 1 4 . 1 1 4 4 GLY N N 423 113.124 113.124 109.943 3.181 17518
1714 1 4 . 1 1 4 4 GLY C C 423 173.909 173.909 172.729 1.180 17518
1715 1 4 . 1 1 4 4 GLY CA C 423 45.058 45.058 45.105 -0.047 17518
1716 1 4 . 1 1 4 4 GLY H H 423 8.770 8.770 8.282 0.488 17518
1717 1 4 . 1 1 5 5 ASN N N 424 121.226 121.226 120.824 0.402 17518
1718 1 4 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.801 -0.227 17518
1719 1 4 . 1 1 5 5 ASN C C 424 174.450 174.450 173.843 0.607 17518
1720 1 4 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.549 0.688 17518
1721 1 4 . 1 1 5 5 ASN CB C 424 38.520 38.520 41.873 -3.353 17518
1722 1 4 . 1 1 5 5 ASN H H 424 8.988 8.988 8.428 0.560 17518
1723 1 4 . 1 1 6 6 LYS N N 425 119.587 119.587 120.298 -0.711 17518
1724 1 4 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.522 0.607 17518
1725 1 4 . 1 1 6 6 LYS C C 425 176.281 176.281 174.584 1.697 17518
1726 1 4 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.305 -0.911 17518
1727 1 4 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.734 -0.286 17518
1728 1 4 . 1 1 6 6 LYS H H 425 8.354 8.354 8.403 -0.049 17518
1729 1 4 . 1 1 7 7 VAL N N 426 124.203 124.203 125.016 -0.813 17518
1730 1 4 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.972 -0.510 17518
1731 1 4 . 1 1 7 7 VAL C C 426 174.564 174.564 175.006 -0.442 17518
1732 1 4 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.918 0.451 17518
1733 1 4 . 1 1 7 7 VAL CB C 426 34.432 34.432 33.826 0.606 17518
1734 1 4 . 1 1 7 7 VAL H H 426 8.774 8.774 9.001 -0.227 17518
1735 1 4 . 1 1 8 8 THR N N 427 125.363 125.363 124.598 0.765 17518
1736 1 4 . 1 1 8 8 THR HA H 427 5.326 5.326 5.217 0.109 17518
1737 1 4 . 1 1 8 8 THR C C 427 173.108 173.108 173.252 -0.144 17518
1738 1 4 . 1 1 8 8 THR CA C 427 61.752 61.752 62.460 -0.708 17518
1739 1 4 . 1 1 8 8 THR CB C 427 69.860 69.860 70.534 -0.673 17518
1740 1 4 . 1 1 8 8 THR H H 427 8.851 8.851 9.177 -0.326 17518
1741 1 4 . 1 1 9 9 ILE N N 428 127.015 127.015 126.518 0.497 17518
1742 1 4 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.944 -0.288 17518
1743 1 4 . 1 1 9 9 ILE C C 428 175.404 175.404 174.363 1.041 17518
1744 1 4 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.368 -0.488 17518
1745 1 4 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.730 1.461 17518
1746 1 4 . 1 1 9 9 ILE H H 428 8.628 8.628 9.258 -0.630 17518
1747 1 4 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.414 -0.245 17518
1748 1 4 . 1 1 10 10 TYR C C 429 174.161 174.161 174.948 -0.787 17518
1749 1 4 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.377 2.874 17518
1750 1 4 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.434 0.948 17518
1751 1 4 . 1 1 10 10 TYR H H 429 9.069 9.069 9.135 -0.066 17518
1752 1 4 . 1 1 11 11 TYR N N 430 125.905 125.905 126.307 -0.402 17518
1753 1 4 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.671 -0.681 17518
1754 1 4 . 1 1 11 11 TYR C C 430 173.359 173.359 174.254 -0.895 17518
1755 1 4 . 1 1 11 11 TYR CA C 430 56.630 56.630 54.472 2.158 17518
1756 1 4 . 1 1 11 11 TYR CB C 430 42.942 42.942 42.217 0.726 17518
1757 1 4 . 1 1 11 11 TYR H H 430 9.500 9.500 8.974 0.526 17518
1758 1 4 . 1 1 12 12 LYS N N 431 131.688 131.688 126.262 5.426 17518
1759 1 4 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.482 0.880 17518
1760 1 4 . 1 1 12 12 LYS C C 431 172.929 172.929 174.705 -1.776 17518
1761 1 4 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.364 0.503 17518
1762 1 4 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.476 0.695 17518
1763 1 4 . 1 1 12 12 LYS H H 431 8.410 8.410 8.087 0.323 17518
1764 1 4 . 1 1 13 13 LYS N N 432 125.124 125.124 126.347 -1.223 17518
1765 1 4 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.889 -0.017 17518
1766 1 4 . 1 1 13 13 LYS C C 432 180.107 180.107 176.135 3.972 17518
1767 1 4 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.508 -4.000 17518
1768 1 4 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.097 -0.443 17518
1769 1 4 . 1 1 14 14 GLY N N 433 112.761 112.761 112.314 0.447 17518
1770 1 4 . 1 1 14 14 GLY C C 433 174.180 174.180 174.177 0.003 17518
1771 1 4 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.084 1.258 17518
1772 1 4 . 1 1 14 14 GLY H H 433 7.585 7.585 8.264 -0.679 17518
1773 1 4 . 1 1 15 15 PHE N N 434 121.529 121.529 118.010 3.519 17518
1774 1 4 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.660 0.031 17518
1775 1 4 . 1 1 15 15 PHE C C 434 175.899 175.899 175.418 0.481 17518
1776 1 4 . 1 1 15 15 PHE CA C 434 57.157 57.157 58.411 -1.254 17518
1777 1 4 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.758 -2.286 17518
1778 1 4 . 1 1 15 15 PHE H H 434 8.454 8.454 7.741 0.713 17518
1779 1 4 . 1 1 16 16 ASN N N 435 117.583 117.583 116.037 1.546 17518
1780 1 4 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.715 -0.316 17518
1781 1 4 . 1 1 16 16 ASN C C 435 176.259 176.259 173.768 2.491 17518
1782 1 4 . 1 1 16 16 ASN CA C 435 56.521 56.521 53.788 2.733 17518
1783 1 4 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.868 0.498 17518
1784 1 4 . 1 1 16 16 ASN H H 435 8.513 8.513 8.591 -0.078 17518
1785 1 4 . 1 1 17 17 SER N N 436 112.889 112.889 117.222 -4.333 17518
1786 1 4 . 1 1 17 17 SER HA H 436 4.798 4.798 4.789 0.009 17518
1787 1 4 . 1 1 17 17 SER C C 436 171.151 171.151 171.630 -0.479 17518
1788 1 4 . 1 1 17 17 SER CA C 436 53.721 53.721 56.242 -2.521 17518
1789 1 4 . 1 1 17 17 SER CB C 436 63.834 63.834 64.037 -0.203 17518
1790 1 4 . 1 1 17 17 SER H H 436 8.315 8.315 8.215 0.100 17518
1791 1 4 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.309 0.253 17518
1792 1 4 . 1 1 18 18 PRO C C 437 175.812 175.812 175.376 0.436 17518
1793 1 4 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.484 0.133 17518
1794 1 4 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.755 0.019 17518
1795 1 4 . 1 1 19 19 TYR N N 438 122.060 122.060 118.461 3.599 17518
1796 1 4 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.782 0.048 17518
1797 1 4 . 1 1 19 19 TYR C C 438 174.732 174.732 174.761 -0.029 17518
1798 1 4 . 1 1 19 19 TYR CA C 438 56.729 56.729 56.988 -0.259 17518
1799 1 4 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.107 -0.349 17518
1800 1 4 . 1 1 19 19 TYR H H 438 9.072 9.072 8.383 0.690 17518
1801 1 4 . 1 1 20 20 ILE N N 439 118.018 118.018 121.254 -3.236 17518
1802 1 4 . 1 1 20 20 ILE HA H 439 4.988 4.988 5.092 -0.104 17518
1803 1 4 . 1 1 20 20 ILE C C 439 171.341 171.341 174.867 -3.526 17518
1804 1 4 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.223 -0.650 17518
1805 1 4 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.179 0.479 17518
1806 1 4 . 1 1 20 20 ILE H H 439 9.164 9.164 8.832 0.332 17518
1807 1 4 . 1 1 21 21 HIS N N 440 133.346 133.346 130.504 2.842 17518
1808 1 4 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.872 0.503 17518
1809 1 4 . 1 1 21 21 HIS C C 440 174.947 174.947 173.841 1.106 17518
1810 1 4 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.265 -0.464 17518
1811 1 4 . 1 1 21 21 HIS CB C 440 35.001 35.001 31.323 3.678 17518
1812 1 4 . 1 1 21 21 HIS H H 440 8.843 8.843 8.728 0.115 17518
1813 1 4 . 1 1 22 22 TYR N N 441 121.863 121.863 123.673 -1.810 17518
1814 1 4 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.985 0.072 17518
1815 1 4 . 1 1 22 22 TYR C C 441 173.567 173.567 173.355 0.212 17518
1816 1 4 . 1 1 22 22 TYR CA C 441 56.693 56.693 54.837 1.856 17518
1817 1 4 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.888 0.908 17518
1818 1 4 . 1 1 22 22 TYR H H 441 8.231 8.231 8.003 0.228 17518
1819 1 4 . 1 1 23 23 ARG N N 442 116.788 116.788 120.945 -4.157 17518
1820 1 4 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.789 -0.158 17518
1821 1 4 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.708 -0.348 17518
1822 1 4 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.597 -1.283 17518
1823 1 4 . 1 1 23 23 ARG H H 442 8.456 8.456 9.191 -0.735 17518
1824 1 4 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.503 0.004 17518
1825 1 4 . 1 1 24 24 PRO C C 443 176.258 176.258 175.917 0.341 17518
1826 1 4 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.967 0.278 17518
1827 1 4 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.334 -0.137 17518
1828 1 4 . 1 1 25 25 ALA N N 444 125.666 125.666 126.046 -0.380 17518
1829 1 4 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.914 0.044 17518
1830 1 4 . 1 1 25 25 ALA C C 444 179.221 179.221 177.395 1.826 17518
1831 1 4 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.385 0.795 17518
1832 1 4 . 1 1 25 25 ALA CB C 444 18.420 18.420 17.749 0.671 17518
1833 1 4 . 1 1 25 25 ALA H H 444 8.230 8.230 8.165 0.065 17518
1834 1 4 . 1 1 26 26 GLY N N 445 112.217 112.217 109.952 2.265 17518
1835 1 4 . 1 1 26 26 GLY C C 445 174.734 174.734 174.234 0.500 17518
1836 1 4 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.583 1.079 17518
1837 1 4 . 1 1 26 26 GLY H H 445 8.591 8.591 8.022 0.569 17518
1838 1 4 . 1 1 27 27 GLY N N 446 109.489 109.489 108.251 1.238 17518
1839 1 4 . 1 1 27 27 GLY C C 446 173.379 173.379 172.741 0.638 17518
1840 1 4 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.001 0.117 17518
1841 1 4 . 1 1 27 27 GLY H H 446 8.380 8.380 8.437 -0.057 17518
1842 1 4 . 1 1 28 28 SER N N 447 117.275 117.275 114.742 2.533 17518
1843 1 4 . 1 1 28 28 SER HA H 447 4.637 4.637 4.539 0.098 17518
1844 1 4 . 1 1 28 28 SER C C 447 173.759 173.759 173.426 0.333 17518
1845 1 4 . 1 1 28 28 SER CA C 447 57.410 57.410 57.497 -0.087 17518
1846 1 4 . 1 1 28 28 SER CB C 447 65.022 65.022 65.309 -0.287 17518
1847 1 4 . 1 1 28 28 SER H H 447 8.585 8.585 8.275 0.310 17518
1848 1 4 . 1 1 29 29 TRP N N 448 123.426 123.426 122.215 1.211 17518
1849 1 4 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.505 -0.112 17518
1850 1 4 . 1 1 29 29 TRP C C 448 178.997 178.997 177.437 1.560 17518
1851 1 4 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.658 0.508 17518
1852 1 4 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.185 0.421 17518
1853 1 4 . 1 1 29 29 TRP H H 448 8.346 8.346 8.520 -0.174 17518
1854 1 4 . 1 1 30 30 THR N N 449 111.168 111.168 115.340 -4.172 17518
1855 1 4 . 1 1 30 30 THR HA H 449 3.978 3.978 4.365 -0.387 17518
1856 1 4 . 1 1 30 30 THR C C 449 174.707 174.707 173.972 0.735 17518
1857 1 4 . 1 1 30 30 THR CA C 449 61.317 61.317 61.622 -0.305 17518
1858 1 4 . 1 1 30 30 THR CB C 449 70.526 70.526 69.562 0.964 17518
1859 1 4 . 1 1 30 30 THR H H 449 7.888 7.888 8.595 -0.707 17518
1860 1 4 . 1 1 31 31 ALA N N 450 122.982 122.982 123.586 -0.604 17518
1861 1 4 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.266 0.133 17518
1862 1 4 . 1 1 31 31 ALA C C 450 178.443 178.443 176.481 1.962 17518
1863 1 4 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.472 0.412 17518
1864 1 4 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.107 -0.046 17518
1865 1 4 . 1 1 31 31 ALA H H 450 8.383 8.383 8.361 0.022 17518
1866 1 4 . 1 1 32 32 ALA N N 451 129.780 129.780 127.227 2.553 17518
1867 1 4 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.075 -0.217 17518
1868 1 4 . 1 1 32 32 ALA C C 451 175.997 175.997 175.697 0.300 17518
1869 1 4 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.520 1.291 17518
1870 1 4 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.629 -2.383 17518
1871 1 4 . 1 1 32 32 ALA H H 451 8.778 8.778 7.981 0.797 17518
1872 1 4 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.283 -0.439 17518
1873 1 4 . 1 1 33 33 PRO C C 452 173.297 173.297 176.841 -3.544 17518
1874 1 4 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.235 1.497 17518
1875 1 4 . 1 1 33 33 PRO CB C 452 33.646 33.646 31.843 1.803 17518
1876 1 4 . 1 1 34 34 GLY N N 453 112.150 112.150 112.268 -0.118 17518
1877 1 4 . 1 1 34 34 GLY C C 453 174.011 174.011 173.778 0.233 17518
1878 1 4 . 1 1 34 34 GLY CA C 453 43.995 43.995 45.405 -1.410 17518
1879 1 4 . 1 1 34 34 GLY H H 453 8.685 8.685 7.475 1.210 17518
1880 1 4 . 1 1 35 35 VAL N N 454 123.276 123.276 123.591 -0.315 17518
1881 1 4 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.321 0.025 17518
1882 1 4 . 1 1 35 35 VAL C C 454 174.782 174.782 175.414 -0.632 17518
1883 1 4 . 1 1 35 35 VAL CA C 454 60.959 60.959 60.367 0.592 17518
1884 1 4 . 1 1 35 35 VAL CB C 454 34.857 34.857 34.893 -0.036 17518
1885 1 4 . 1 1 35 35 VAL H H 454 9.287 9.287 8.544 0.743 17518
1886 1 4 . 1 1 36 36 LYS N N 455 128.135 128.135 130.097 -1.962 17518
1887 1 4 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.144 -1.083 17518
1888 1 4 . 1 1 36 36 LYS C C 455 176.438 176.438 176.333 0.105 17518
1889 1 4 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.964 0.259 17518
1890 1 4 . 1 1 36 36 LYS CB C 455 32.619 32.619 31.614 1.005 17518
1891 1 4 . 1 1 36 36 LYS H H 455 8.443 8.443 8.762 -0.320 17518
1892 1 4 . 1 1 37 37 MET N N 456 124.850 124.850 126.822 -1.972 17518
1893 1 4 . 1 1 37 37 MET HA H 456 4.207 4.207 4.205 0.002 17518
1894 1 4 . 1 1 37 37 MET C C 456 175.590 175.590 176.453 -0.863 17518
1895 1 4 . 1 1 37 37 MET CA C 456 56.409 56.409 57.638 -1.229 17518
1896 1 4 . 1 1 37 37 MET CB C 456 34.978 34.978 32.469 2.509 17518
1897 1 4 . 1 1 37 37 MET H H 456 8.121 8.121 8.206 -0.085 17518
1898 1 4 . 1 1 38 38 GLN N N 457 121.555 121.555 122.620 -1.065 17518
1899 1 4 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.140 0.253 17518
1900 1 4 . 1 1 38 38 GLN C C 457 175.737 175.737 175.736 0.001 17518
1901 1 4 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.850 -2.067 17518
1902 1 4 . 1 1 38 38 GLN CB C 457 30.307 30.307 29.099 1.208 17518
1903 1 4 . 1 1 38 38 GLN H H 457 8.441 8.441 8.756 -0.315 17518
1904 1 4 . 1 1 39 39 ASP N N 458 121.629 121.629 119.171 2.458 17518
1905 1 4 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.597 0.134 17518
1906 1 4 . 1 1 39 39 ASP C C 458 176.733 176.733 175.170 1.563 17518
1907 1 4 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.330 1.927 17518
1908 1 4 . 1 1 39 39 ASP CB C 458 40.358 40.358 41.035 -0.677 17518
1909 1 4 . 1 1 39 39 ASP H H 458 8.720 8.720 8.442 0.278 17518
1910 1 4 . 1 1 40 40 ALA N N 459 122.646 122.646 125.290 -2.644 17518
1911 1 4 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.649 -0.357 17518
1912 1 4 . 1 1 40 40 ALA C C 459 175.201 175.201 177.743 -2.542 17518
1913 1 4 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.294 0.262 17518
1914 1 4 . 1 1 40 40 ALA CB C 459 21.948 21.948 20.087 1.861 17518
1915 1 4 . 1 1 40 40 ALA H H 459 8.423 8.423 8.851 -0.428 17518
1916 1 4 . 1 1 41 41 GLU N N 460 120.190 120.190 127.233 -7.043 17518
1917 1 4 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.968 0.339 17518
1918 1 4 . 1 1 41 41 GLU C C 460 174.722 174.722 178.187 -3.465 17518
1919 1 4 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.171 -0.652 17518
1920 1 4 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.281 -1.945 17518
1921 1 4 . 1 1 41 41 GLU H H 460 10.341 10.341 8.902 1.439 17518
1922 1 4 . 1 1 42 42 ILE N N 461 119.473 119.473 118.988 0.485 17518
1923 1 4 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.569 0.742 17518
1924 1 4 . 1 1 42 42 ILE C C 461 174.959 174.959 175.965 -1.006 17518
1925 1 4 . 1 1 42 42 ILE CA C 461 58.966 58.966 64.326 -5.360 17518
1926 1 4 . 1 1 42 42 ILE CB C 461 39.745 39.745 38.002 1.743 17518
1927 1 4 . 1 1 42 42 ILE H H 461 6.466 6.466 7.840 -1.374 17518
1928 1 4 . 1 1 43 43 SER N N 462 121.292 121.292 111.594 9.698 17518
1929 1 4 . 1 1 43 43 SER HA H 462 4.297 4.297 4.489 -0.192 17518
1930 1 4 . 1 1 43 43 SER C C 462 175.624 175.624 173.185 2.439 17518
1931 1 4 . 1 1 43 43 SER CA C 462 60.112 60.112 58.442 1.670 17518
1932 1 4 . 1 1 43 43 SER CB C 462 63.116 63.116 62.455 0.662 17518
1933 1 4 . 1 1 43 43 SER H H 462 8.584 8.584 7.550 1.034 17518
1934 1 4 . 1 1 44 44 GLY N N 463 111.896 111.896 107.628 4.268 17518
1935 1 4 . 1 1 44 44 GLY C C 463 173.823 173.823 173.463 0.360 17518
1936 1 4 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.694 -0.815 17518
1937 1 4 . 1 1 44 44 GLY H H 463 8.623 8.623 8.005 0.618 17518
1938 1 4 . 1 1 45 45 TYR N N 464 116.379 116.379 119.658 -3.279 17518
1939 1 4 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.735 0.963 17518
1940 1 4 . 1 1 45 45 TYR C C 464 175.693 175.693 173.334 2.359 17518
1941 1 4 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.717 -0.105 17518
1942 1 4 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.653 -0.729 17518
1943 1 4 . 1 1 45 45 TYR H H 464 7.803 7.803 8.121 -0.318 17518
1944 1 4 . 1 1 46 46 ALA N N 465 126.206 126.206 120.137 6.069 17518
1945 1 4 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.445 -0.108 17518
1946 1 4 . 1 1 46 46 ALA C C 465 176.129 176.129 175.866 0.263 17518
1947 1 4 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.795 0.661 17518
1948 1 4 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.168 2.178 17518
1949 1 4 . 1 1 46 46 ALA H H 465 9.910 9.910 9.213 0.697 17518
1950 1 4 . 1 1 47 47 LYS N N 466 120.226 120.226 120.561 -0.335 17518
1951 1 4 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.218 0.454 17518
1952 1 4 . 1 1 47 47 LYS C C 466 173.880 173.880 174.682 -0.802 17518
1953 1 4 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.307 0.099 17518
1954 1 4 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.804 0.356 17518
1955 1 4 . 1 1 47 47 LYS H H 466 9.373 9.373 8.444 0.929 17518
1956 1 4 . 1 1 48 48 ILE N N 467 120.505 120.505 121.017 -0.512 17518
1957 1 4 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.759 -0.356 17518
1958 1 4 . 1 1 48 48 ILE C C 467 171.247 171.247 173.077 -1.830 17518
1959 1 4 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.038 0.344 17518
1960 1 4 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.800 -0.266 17518
1961 1 4 . 1 1 48 48 ILE H H 467 8.085 8.085 8.886 -0.801 17518
1962 1 4 . 1 1 49 49 THR N N 468 122.247 122.247 124.678 -2.431 17518
1963 1 4 . 1 1 49 49 THR HA H 468 5.301 5.301 5.321 -0.020 17518
1964 1 4 . 1 1 49 49 THR C C 468 173.694 173.694 173.878 -0.184 17518
1965 1 4 . 1 1 49 49 THR CA C 468 61.871 61.871 60.661 1.210 17518
1966 1 4 . 1 1 49 49 THR CB C 468 70.649 70.649 69.838 0.811 17518
1967 1 4 . 1 1 49 49 THR H H 468 7.954 7.954 8.324 -0.370 17518
1968 1 4 . 1 1 50 50 VAL N N 469 126.076 126.076 123.914 2.162 17518
1969 1 4 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.063 0.048 17518
1970 1 4 . 1 1 50 50 VAL C C 469 173.826 173.826 173.868 -0.042 17518
1971 1 4 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.395 -0.196 17518
1972 1 4 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.233 -0.184 17518
1973 1 4 . 1 1 50 50 VAL H H 469 9.242 9.242 9.093 0.149 17518
1974 1 4 . 1 1 51 51 ASP N N 470 126.346 126.346 126.243 0.103 17518
1975 1 4 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.719 0.194 17518
1976 1 4 . 1 1 51 51 ASP C C 470 177.013 177.013 176.199 0.814 17518
1977 1 4 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.251 -1.237 17518
1978 1 4 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.016 -0.097 17518
1979 1 4 . 1 1 51 51 ASP H H 470 8.476 8.476 8.585 -0.109 17518
1980 1 4 . 1 1 52 52 ILE N N 471 118.935 118.935 117.062 1.873 17518
1981 1 4 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.622 -0.084 17518
1982 1 4 . 1 1 52 52 ILE C C 471 176.991 176.991 176.038 0.953 17518
1983 1 4 . 1 1 52 52 ILE CA C 471 59.992 59.992 59.668 0.324 17518
1984 1 4 . 1 1 52 52 ILE CB C 471 38.002 38.002 38.978 -0.976 17518
1985 1 4 . 1 1 52 52 ILE H H 471 8.728 8.728 8.353 0.375 17518
1986 1 4 . 1 1 53 53 GLY N N 472 114.498 114.498 109.962 4.536 17518
1987 1 4 . 1 1 53 53 GLY C C 472 174.971 174.971 174.484 0.487 17518
1988 1 4 . 1 1 53 53 GLY CA C 472 47.668 47.668 46.885 0.783 17518
1989 1 4 . 1 1 53 53 GLY H H 472 9.078 9.078 8.782 0.296 17518
1990 1 4 . 1 1 54 54 SER N N 473 120.546 120.546 115.640 4.906 17518
1991 1 4 . 1 1 54 54 SER HA H 473 4.426 4.426 4.293 0.133 17518
1992 1 4 . 1 1 54 54 SER C C 473 174.975 174.975 172.712 2.263 17518
1993 1 4 . 1 1 54 54 SER CA C 473 58.417 58.417 58.439 -0.022 17518
1994 1 4 . 1 1 54 54 SER CB C 473 63.632 63.632 63.793 -0.161 17518
1995 1 4 . 1 1 54 54 SER H H 473 8.808 8.808 8.496 0.312 17518
1996 1 4 . 1 1 55 55 ALA N N 474 125.402 125.402 124.176 1.226 17518
1997 1 4 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.725 -0.359 17518
1998 1 4 . 1 1 55 55 ALA C C 474 176.116 176.116 176.098 0.018 17518
1999 1 4 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.072 1.300 17518
2000 1 4 . 1 1 55 55 ALA CB C 474 20.315 20.315 21.114 -0.799 17518
2001 1 4 . 1 1 55 55 ALA H H 474 7.738 7.738 8.161 -0.423 17518
2002 1 4 . 1 1 56 56 SER N N 475 110.149 110.149 116.518 -6.369 17518
2003 1 4 . 1 1 56 56 SER HA H 475 4.539 4.539 4.427 0.112 17518
2004 1 4 . 1 1 56 56 SER C C 475 173.662 173.662 173.890 -0.228 17518
2005 1 4 . 1 1 56 56 SER CA C 475 58.121 58.121 59.380 -1.259 17518
2006 1 4 . 1 1 56 56 SER CB C 475 65.000 65.000 63.492 1.508 17518
2007 1 4 . 1 1 56 56 SER H H 475 8.756 8.756 8.711 0.045 17518
2008 1 4 . 1 1 57 57 GLN N N 476 117.023 117.023 116.777 0.246 17518
2009 1 4 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.848 0.210 17518
2010 1 4 . 1 1 57 57 GLN C C 476 173.042 173.042 173.330 -0.288 17518
2011 1 4 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.015 -0.791 17518
2012 1 4 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.896 -0.287 17518
2013 1 4 . 1 1 57 57 GLN H H 476 7.139 7.139 7.413 -0.274 17518
2014 1 4 . 1 1 58 58 LEU N N 477 121.156 121.156 120.474 0.682 17518
2015 1 4 . 1 1 58 58 LEU HA H 477 4.746 4.746 4.999 -0.253 17518
2016 1 4 . 1 1 58 58 LEU C C 477 173.922 173.922 173.781 0.141 17518
2017 1 4 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.101 -0.593 17518
2018 1 4 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.734 0.546 17518
2019 1 4 . 1 1 58 58 LEU H H 477 9.149 9.149 9.176 -0.027 17518
2020 1 4 . 1 1 59 59 GLU N N 478 126.375 126.375 124.401 1.974 17518
2021 1 4 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.270 0.086 17518
2022 1 4 . 1 1 59 59 GLU C C 478 175.481 175.481 174.890 0.591 17518
2023 1 4 . 1 1 59 59 GLU CA C 478 54.597 54.597 54.211 0.386 17518
2024 1 4 . 1 1 59 59 GLU CB C 478 32.759 32.759 33.090 -0.331 17518
2025 1 4 . 1 1 59 59 GLU H H 478 8.558 8.558 9.020 -0.462 17518
2026 1 4 . 1 1 60 60 ALA N N 479 124.321 124.321 127.360 -3.039 17518
2027 1 4 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.874 -0.082 17518
2028 1 4 . 1 1 60 60 ALA C C 479 174.955 174.955 175.264 -0.309 17518
2029 1 4 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.178 0.963 17518
2030 1 4 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.840 1.254 17518
2031 1 4 . 1 1 60 60 ALA H H 479 9.614 9.614 8.729 0.885 17518
2032 1 4 . 1 1 61 61 ALA N N 480 120.954 120.954 121.682 -0.728 17518
2033 1 4 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.134 -0.340 17518
2034 1 4 . 1 1 61 61 ALA C C 480 174.782 174.782 175.238 -0.456 17518
2035 1 4 . 1 1 61 61 ALA CA C 480 51.257 51.257 50.942 0.315 17518
2036 1 4 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.696 0.518 17518
2037 1 4 . 1 1 61 61 ALA H H 480 9.346 9.346 8.865 0.481 17518
2038 1 4 . 1 1 62 62 PHE N N 481 117.021 117.021 121.384 -4.363 17518
2039 1 4 . 1 1 62 62 PHE HA H 481 5.884 5.884 5.203 0.681 17518
2040 1 4 . 1 1 62 62 PHE C C 481 175.044 175.044 173.565 1.479 17518
2041 1 4 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.338 1.250 17518
2042 1 4 . 1 1 62 62 PHE CB C 481 43.263 43.263 43.118 0.145 17518
2043 1 4 . 1 1 62 62 PHE H H 481 8.351 8.351 8.638 -0.287 17518
2044 1 4 . 1 1 63 63 ASN N N 482 116.362 116.362 121.122 -4.760 17518
2045 1 4 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.897 0.211 17518
2046 1 4 . 1 1 63 63 ASN C C 482 172.088 172.088 173.093 -1.005 17518
2047 1 4 . 1 1 63 63 ASN CA C 482 53.710 53.710 52.150 1.560 17518
2048 1 4 . 1 1 63 63 ASN CB C 482 41.348 41.348 42.562 -1.214 17518
2049 1 4 . 1 1 63 63 ASN H H 482 9.077 9.077 8.587 0.490 17518
2050 1 4 . 1 1 64 64 ASP N N 483 118.002 118.002 117.985 0.017 17518
2051 1 4 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.452 -0.268 17518
2052 1 4 . 1 1 64 64 ASP C C 483 177.271 177.271 175.304 1.967 17518
2053 1 4 . 1 1 64 64 ASP CA C 483 52.301 52.301 52.634 -0.333 17518
2054 1 4 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.620 1.267 17518
2055 1 4 . 1 1 64 64 ASP H H 483 7.482 7.482 8.162 -0.680 17518
2056 1 4 . 1 1 65 65 GLY N N 484 110.602 110.602 109.177 1.425 17518
2057 1 4 . 1 1 65 65 GLY C C 484 173.156 173.156 172.426 0.730 17518
2058 1 4 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.023 0.592 17518
2059 1 4 . 1 1 65 65 GLY H H 484 8.696 8.696 8.335 0.361 17518
2060 1 4 . 1 1 66 66 ASN N N 485 120.867 120.867 117.527 3.340 17518
2061 1 4 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.104 0.600 17518
2062 1 4 . 1 1 66 66 ASN C C 485 174.442 174.442 174.203 0.239 17518
2063 1 4 . 1 1 66 66 ASN CA C 485 52.311 52.311 53.409 -1.098 17518
2064 1 4 . 1 1 66 66 ASN CB C 485 39.491 39.491 38.202 1.289 17518
2065 1 4 . 1 1 66 66 ASN H H 485 8.371 8.371 7.991 0.380 17518
2066 1 4 . 1 1 67 67 ASN N N 486 113.518 113.518 118.610 -5.092 17518
2067 1 4 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.720 -0.542 17518
2068 1 4 . 1 1 67 67 ASN C C 486 173.845 173.845 174.525 -0.680 17518
2069 1 4 . 1 1 67 67 ASN CA C 486 54.486 54.486 54.464 0.022 17518
2070 1 4 . 1 1 67 67 ASN CB C 486 38.267 38.267 38.872 -0.605 17518
2071 1 4 . 1 1 67 67 ASN H H 486 8.700 8.700 8.329 0.371 17518
2072 1 4 . 1 1 68 68 ASN N N 487 118.464 118.464 118.754 -0.290 17518
2073 1 4 . 1 1 68 68 ASN HA H 487 5.058 5.058 4.671 0.387 17518
2074 1 4 . 1 1 68 68 ASN C C 487 173.449 173.449 173.901 -0.452 17518
2075 1 4 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.480 0.788 17518
2076 1 4 . 1 1 68 68 ASN CB C 487 38.813 38.813 37.298 1.515 17518
2077 1 4 . 1 1 68 68 ASN H H 487 7.975 7.975 7.982 -0.007 17518
2078 1 4 . 1 1 69 69 TRP N N 488 120.817 120.817 123.050 -2.233 17518
2079 1 4 . 1 1 69 69 TRP HA H 488 4.822 4.822 5.121 -0.299 17518
2080 1 4 . 1 1 69 69 TRP C C 488 176.268 176.268 176.214 0.054 17518
2081 1 4 . 1 1 69 69 TRP CA C 488 57.178 57.178 56.121 1.057 17518
2082 1 4 . 1 1 69 69 TRP CB C 488 32.331 32.331 32.066 0.265 17518
2083 1 4 . 1 1 69 69 TRP H H 488 8.771 8.771 7.964 0.807 17518
2084 1 4 . 1 1 70 70 ASP N N 489 122.179 122.179 119.571 2.608 17518
2085 1 4 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.030 0.166 17518
2086 1 4 . 1 1 70 70 ASP C C 489 175.441 175.441 174.503 0.938 17518
2087 1 4 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.572 -1.227 17518
2088 1 4 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.483 -1.516 17518
2089 1 4 . 1 1 70 70 ASP H H 489 9.795 9.795 8.947 0.848 17518
2090 1 4 . 1 1 71 71 SER N N 490 117.314 117.314 117.000 0.314 17518
2091 1 4 . 1 1 71 71 SER HA H 490 5.084 5.084 4.561 0.523 17518
2092 1 4 . 1 1 71 71 SER C C 490 175.277 175.277 174.555 0.722 17518
2093 1 4 . 1 1 71 71 SER CA C 490 56.099 56.099 56.904 -0.805 17518
2094 1 4 . 1 1 71 71 SER CB C 490 66.550 66.550 65.357 1.193 17518
2095 1 4 . 1 1 71 71 SER H H 490 9.238 9.238 8.315 0.923 17518
2096 1 4 . 1 1 72 72 ASN N N 491 122.911 122.911 126.085 -3.174 17518
2097 1 4 . 1 1 72 72 ASN HA H 491 4.367 4.367 3.765 0.602 17518
2098 1 4 . 1 1 72 72 ASN C C 491 176.857 176.857 175.081 1.776 17518
2099 1 4 . 1 1 72 72 ASN CA C 491 53.192 53.192 54.194 -1.002 17518
2100 1 4 . 1 1 72 72 ASN CB C 491 35.574 35.574 37.762 -2.188 17518
2101 1 4 . 1 1 72 72 ASN H H 491 8.536 8.536 6.961 1.575 17518
2102 1 4 . 1 1 73 73 ASN N N 492 116.146 116.146 115.240 0.906 17518
2103 1 4 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.526 -0.141 17518
2104 1 4 . 1 1 73 73 ASN C C 492 176.335 176.335 174.832 1.503 17518
2105 1 4 . 1 1 73 73 ASN CA C 492 54.488 54.488 55.622 -1.134 17518
2106 1 4 . 1 1 73 73 ASN CB C 492 37.331 37.331 37.973 -0.642 17518
2107 1 4 . 1 1 73 73 ASN H H 492 9.086 9.086 8.499 0.587 17518
2108 1 4 . 1 1 74 74 THR N N 493 110.420 110.420 112.721 -2.301 17518
2109 1 4 . 1 1 74 74 THR HA H 493 3.779 3.779 4.322 -0.543 17518
2110 1 4 . 1 1 74 74 THR C C 493 173.194 173.194 173.057 0.137 17518
2111 1 4 . 1 1 74 74 THR CA C 493 65.027 65.027 63.268 1.759 17518
2112 1 4 . 1 1 74 74 THR CB C 493 69.730 69.730 68.516 1.214 17518
2113 1 4 . 1 1 74 74 THR H H 493 7.782 7.782 8.163 -0.381 17518
2114 1 4 . 1 1 75 75 LYS N N 494 121.968 121.968 119.686 2.282 17518
2115 1 4 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.455 -0.388 17518
2116 1 4 . 1 1 75 75 LYS C C 494 177.470 177.470 174.872 2.598 17518
2117 1 4 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.205 1.804 17518
2118 1 4 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.955 -3.369 17518
2119 1 4 . 1 1 75 75 LYS H H 494 7.652 7.652 8.539 -0.887 17518
2120 1 4 . 1 1 76 76 ASN N N 495 108.525 108.525 115.348 -6.823 17518
2121 1 4 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.530 -0.600 17518
2122 1 4 . 1 1 76 76 ASN C C 495 172.085 172.085 173.446 -1.361 17518
2123 1 4 . 1 1 76 76 ASN CA C 495 54.413 54.413 53.192 1.221 17518
2124 1 4 . 1 1 76 76 ASN CB C 495 39.048 39.048 39.719 -0.671 17518
2125 1 4 . 1 1 76 76 ASN H H 495 8.197 8.197 7.650 0.547 17518
2126 1 4 . 1 1 77 77 TYR N N 496 118.076 118.076 120.700 -2.624 17518
2127 1 4 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.591 0.202 17518
2128 1 4 . 1 1 77 77 TYR C C 496 175.074 175.074 175.435 -0.361 17518
2129 1 4 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.097 0.574 17518
2130 1 4 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.301 1.484 17518
2131 1 4 . 1 1 77 77 TYR H H 496 9.133 9.133 8.628 0.505 17518
2132 1 4 . 1 1 78 78 SER N N 497 116.400 116.400 116.597 -0.197 17518
2133 1 4 . 1 1 78 78 SER HA H 497 5.345 5.345 4.695 0.650 17518
2134 1 4 . 1 1 78 78 SER C C 497 173.130 173.130 172.860 0.270 17518
2135 1 4 . 1 1 78 78 SER CA C 497 57.191 57.191 56.929 0.262 17518
2136 1 4 . 1 1 78 78 SER CB C 497 64.293 64.293 64.582 -0.288 17518
2137 1 4 . 1 1 78 78 SER H H 497 8.204 8.204 8.219 -0.015 17518
2138 1 4 . 1 1 79 79 PHE N N 498 123.023 123.023 124.928 -1.905 17518
2139 1 4 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.899 -0.089 17518
2140 1 4 . 1 1 79 79 PHE C C 498 175.275 175.275 174.613 0.662 17518
2141 1 4 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.089 0.918 17518
2142 1 4 . 1 1 79 79 PHE CB C 498 42.989 42.989 42.982 0.007 17518
2143 1 4 . 1 1 79 79 PHE H H 498 9.054 9.054 9.087 -0.033 17518
2144 1 4 . 1 1 80 80 SER N N 499 117.002 117.002 116.976 0.026 17518
2145 1 4 . 1 1 80 80 SER HA H 499 4.997 4.997 4.841 0.156 17518
2146 1 4 . 1 1 80 80 SER C C 499 173.356 173.356 174.631 -1.275 17518
2147 1 4 . 1 1 80 80 SER CA C 499 57.357 57.357 57.117 0.240 17518
2148 1 4 . 1 1 80 80 SER CB C 499 65.301 65.301 64.861 0.440 17518
2149 1 4 . 1 1 80 80 SER H H 499 8.804 8.804 8.596 0.208 17518
2150 1 4 . 1 1 81 81 THR N N 500 112.529 112.529 114.768 -2.239 17518
2151 1 4 . 1 1 81 81 THR HA H 500 3.820 3.820 3.805 0.015 17518
2152 1 4 . 1 1 81 81 THR C C 500 174.378 174.378 175.389 -1.011 17518
2153 1 4 . 1 1 81 81 THR CA C 500 64.220 64.220 63.570 0.650 17518
2154 1 4 . 1 1 81 81 THR CB C 500 69.475 69.475 68.914 0.561 17518
2155 1 4 . 1 1 81 81 THR H H 500 7.559 7.559 8.247 -0.688 17518
2156 1 4 . 1 1 82 82 GLY N N 501 112.234 112.234 112.764 -0.530 17518
2157 1 4 . 1 1 82 82 GLY C C 501 174.342 174.342 172.010 2.332 17518
2158 1 4 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.699 -0.904 17518
2159 1 4 . 1 1 82 82 GLY H H 501 8.409 8.409 8.372 0.037 17518
2160 1 4 . 1 1 83 83 THR N N 502 120.411 120.411 117.223 3.188 17518
2161 1 4 . 1 1 83 83 THR HA H 502 5.487 5.487 5.254 0.233 17518
2162 1 4 . 1 1 83 83 THR C C 502 174.798 174.798 173.372 1.426 17518
2163 1 4 . 1 1 83 83 THR CA C 502 62.497 62.497 60.829 1.668 17518
2164 1 4 . 1 1 83 83 THR CB C 502 69.978 69.978 71.121 -1.143 17518
2165 1 4 . 1 1 83 83 THR H H 502 8.729 8.729 8.105 0.624 17518
2166 1 4 . 1 1 84 84 SER N N 503 123.023 123.023 121.424 1.599 17518
2167 1 4 . 1 1 84 84 SER HA H 503 5.409 5.409 5.132 0.277 17518
2168 1 4 . 1 1 84 84 SER C C 503 171.976 171.976 173.072 -1.096 17518
2169 1 4 . 1 1 84 84 SER CA C 503 58.675 58.675 56.467 2.208 17518
2170 1 4 . 1 1 84 84 SER CB C 503 67.607 67.607 66.191 1.416 17518
2171 1 4 . 1 1 84 84 SER H H 503 9.121 9.121 9.140 -0.019 17518
2172 1 4 . 1 1 85 85 THR N N 504 118.388 118.388 118.758 -0.370 17518
2173 1 4 . 1 1 85 85 THR HA H 504 5.241 5.241 5.149 0.092 17518
2174 1 4 . 1 1 85 85 THR C C 504 172.930 172.930 172.945 -0.015 17518
2175 1 4 . 1 1 85 85 THR CA C 504 62.672 62.672 61.928 0.744 17518
2176 1 4 . 1 1 85 85 THR CB C 504 70.641 70.641 71.117 -0.476 17518
2177 1 4 . 1 1 85 85 THR H H 504 9.445 9.445 8.790 0.655 17518
2178 1 4 . 1 1 86 86 TYR N N 505 129.195 129.195 128.849 0.346 17518
2179 1 4 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.506 -0.397 17518
2180 1 4 . 1 1 86 86 TYR C C 505 173.063 173.063 173.848 -0.785 17518
2181 1 4 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.553 1.727 17518
2182 1 4 . 1 1 86 86 TYR CB C 505 41.660 41.660 41.972 -0.312 17518
2183 1 4 . 1 1 86 86 TYR H H 505 9.858 9.858 9.632 0.226 17518
2184 1 4 . 1 1 87 87 THR N N 506 124.861 124.861 123.088 1.773 17518
2185 1 4 . 1 1 87 87 THR HA H 506 4.288 4.288 4.786 -0.498 17518
2186 1 4 . 1 1 87 87 THR C C 506 171.472 171.472 171.671 -0.199 17518
2187 1 4 . 1 1 87 87 THR CA C 506 58.917 58.917 58.642 0.275 17518
2188 1 4 . 1 1 87 87 THR CB C 506 70.055 70.055 71.423 -1.368 17518
2189 1 4 . 1 1 87 87 THR H H 506 7.906 7.906 8.896 -0.990 17518
2190 1 4 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.517 -0.511 17518
2191 1 4 . 1 1 88 88 PRO C C 507 176.975 176.975 176.795 0.180 17518
2192 1 4 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.390 0.608 17518
2193 1 4 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.789 -0.415 17518
2194 1 4 . 1 1 89 89 GLY N N 508 108.823 108.823 108.584 0.239 17518
2195 1 4 . 1 1 89 89 GLY C C 508 173.757 173.757 173.149 0.608 17518
2196 1 4 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.340 -0.262 17518
2197 1 4 . 1 1 89 89 GLY H H 508 8.294 8.294 8.233 0.061 17518
2198 1 4 . 1 1 90 90 ASN N N 509 117.850 117.850 117.378 0.472 17518
2199 1 4 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.627 0.096 17518
2200 1 4 . 1 1 90 90 ASN C C 509 176.078 176.078 173.876 2.202 17518
2201 1 4 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.148 -0.242 17518
2202 1 4 . 1 1 90 90 ASN CB C 509 39.922 39.922 38.766 1.156 17518
2203 1 4 . 1 1 90 90 ASN H H 509 8.434 8.434 8.380 0.054 17518
2204 1 4 . 1 1 91 91 SER N N 510 114.973 114.973 116.990 -2.017 17518
2205 1 4 . 1 1 91 91 SER HA H 510 4.133 4.133 4.323 -0.190 17518
2206 1 4 . 1 1 91 91 SER C C 510 174.773 174.773 176.252 -1.479 17518
2207 1 4 . 1 1 91 91 SER CA C 510 58.662 58.662 58.861 -0.199 17518
2208 1 4 . 1 1 91 91 SER CB C 510 62.209 62.209 63.565 -1.356 17518
2209 1 4 . 1 1 91 91 SER H H 510 8.819 8.819 8.718 0.101 17518
2210 1 4 . 1 1 92 92 GLY N N 511 108.552 108.552 114.074 -5.522 17518
2211 1 4 . 1 1 92 92 GLY C C 511 174.613 174.613 174.162 0.451 17518
2212 1 4 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.435 -0.172 17518
2213 1 4 . 1 1 92 92 GLY H H 511 8.472 8.472 8.761 -0.289 17518
2214 1 4 . 1 1 93 93 ASN N N 512 119.035 119.035 120.602 -1.567 17518
2215 1 4 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.793 -0.023 17518
2216 1 4 . 1 1 93 93 ASN C C 512 174.627 174.627 173.580 1.047 17518
2217 1 4 . 1 1 93 93 ASN CA C 512 52.833 52.833 53.175 -0.342 17518
2218 1 4 . 1 1 93 93 ASN CB C 512 39.771 39.771 40.316 -0.545 17518
2219 1 4 . 1 1 93 93 ASN H H 512 7.985 7.985 8.072 -0.087 17518
2220 1 4 . 1 1 94 94 ALA N N 513 123.854 123.854 122.430 1.424 17518
2221 1 4 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.504 0.100 17518
2222 1 4 . 1 1 94 94 ALA C C 513 178.511 178.511 176.308 2.203 17518
2223 1 4 . 1 1 94 94 ALA CA C 513 52.699 52.699 52.102 0.597 17518
2224 1 4 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.493 -0.085 17518
2225 1 4 . 1 1 94 94 ALA H H 513 8.442 8.442 8.268 0.174 17518
2226 1 4 . 1 1 95 95 GLY N N 514 108.880 108.880 112.576 -3.696 17518
2227 1 4 . 1 1 95 95 GLY C C 514 173.104 173.104 174.590 -1.486 17518
2228 1 4 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.586 -0.691 17518
2229 1 4 . 1 1 95 95 GLY H H 514 8.353 8.353 8.418 -0.065 17518
2230 1 4 . 1 1 96 96 THR N N 515 110.444 110.444 116.920 -6.476 17518
2231 1 4 . 1 1 96 96 THR HA H 515 4.504 4.504 4.684 -0.180 17518
2232 1 4 . 1 1 96 96 THR C C 515 173.214 173.214 173.918 -0.704 17518
2233 1 4 . 1 1 96 96 THR CA C 515 60.947 60.947 61.135 -0.188 17518
2234 1 4 . 1 1 96 96 THR CB C 515 72.111 72.111 70.365 1.746 17518
2235 1 4 . 1 1 96 96 THR H H 515 7.839 7.839 8.624 -0.785 17518
2236 1 4 . 1 1 97 97 ILE N N 516 126.770 126.770 125.159 1.611 17518
2237 1 4 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.341 -0.370 17518
2238 1 4 . 1 1 97 97 ILE C C 516 176.061 176.061 175.721 0.340 17518
2239 1 4 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.566 1.480 17518
2240 1 4 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.711 -0.969 17518
2241 1 4 . 1 1 97 97 ILE H H 516 8.733 8.733 8.573 0.160 17518
2242 1 4 . 1 1 98 98 THR N N 517 121.307 121.307 120.166 1.141 17518
2243 1 4 . 1 1 98 98 THR HA H 517 4.693 4.693 4.756 -0.063 17518
2244 1 4 . 1 1 98 98 THR C C 517 173.622 173.622 173.274 0.348 17518
2245 1 4 . 1 1 98 98 THR CA C 517 59.692 59.692 59.536 0.156 17518
2246 1 4 . 1 1 98 98 THR CB C 517 71.290 71.290 70.677 0.613 17518
2247 1 4 . 1 1 98 98 THR H H 517 9.270 9.270 8.910 0.360 17518
2248 1 4 . 1 1 99 99 SER N N 518 118.544 118.544 116.519 2.025 17518
2249 1 4 . 1 1 99 99 SER HA H 518 4.548 4.548 4.687 -0.139 17518
2250 1 4 . 1 1 99 99 SER C C 518 175.405 175.405 174.120 1.285 17518
2251 1 4 . 1 1 99 99 SER CA C 518 59.662 59.662 57.216 2.446 17518
2252 1 4 . 1 1 99 99 SER CB C 518 63.836 63.836 62.902 0.934 17518
2253 1 4 . 1 1 99 99 SER H H 518 8.667 8.667 8.533 0.134 17518
2254 1 4 . 1 1 100 100 GLY N N 519 113.982 113.982 110.767 3.215 17518
2255 1 4 . 1 1 100 100 GLY C C 519 171.714 171.714 172.790 -1.076 17518
2256 1 4 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.422 -0.349 17518
2257 1 4 . 1 1 100 100 GLY H H 519 8.443 8.443 7.516 0.927 17518
2258 1 4 . 1 1 101 101 ALA N N 520 120.741 120.741 125.724 -4.983 17518
2259 1 4 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.665 -1.058 17518
2260 1 4 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.796 -1.333 17518
2261 1 4 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.471 -1.340 17518
2262 1 4 . 1 1 101 101 ALA H H 520 7.908 7.908 8.195 -0.287 17518
2263 1 4 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.354 -0.312 17518
2264 1 4 . 1 1 102 102 PRO C C 521 175.467 175.467 176.427 -0.960 17518
2265 1 4 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.650 0.048 17518
2266 1 4 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.343 -0.479 17518
2267 1 4 . 1 1 103 103 ALA N N 522 122.930 122.930 126.133 -3.203 17518
2268 1 4 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.463 -0.350 17518
2269 1 4 . 1 1 103 103 ALA C C 522 177.009 177.009 178.116 -1.107 17518
2270 1 4 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.301 0.655 17518
2271 1 4 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.133 1.556 17518
2272 1 4 . 1 1 103 103 ALA H H 522 7.993 7.993 8.374 -0.381 17518
2273 1 5 . 1 1 2 2 GLY C C 421 174.167 174.167 173.563 0.604 17518
2274 1 5 . 1 1 2 2 GLY CA C 421 45.259 45.259 44.302 0.957 17518
2275 1 5 . 1 1 3 3 THR N N 422 113.380 113.380 114.206 -0.826 17518
2276 1 5 . 1 1 3 3 THR HA H 422 4.348 4.348 4.102 0.246 17518
2277 1 5 . 1 1 3 3 THR C C 422 174.773 174.773 174.569 0.204 17518
2278 1 5 . 1 1 3 3 THR CA C 422 61.357 61.357 62.867 -1.510 17518
2279 1 5 . 1 1 3 3 THR CB C 422 69.791 69.791 68.718 1.073 17518
2280 1 5 . 1 1 3 3 THR H H 422 8.099 8.099 8.198 -0.099 17518
2281 1 5 . 1 1 4 4 GLY N N 423 113.124 113.124 115.653 -2.529 17518
2282 1 5 . 1 1 4 4 GLY C C 423 173.909 173.909 172.739 1.170 17518
2283 1 5 . 1 1 4 4 GLY CA C 423 45.058 45.058 44.872 0.186 17518
2284 1 5 . 1 1 4 4 GLY H H 423 8.770 8.770 8.796 -0.026 17518
2285 1 5 . 1 1 5 5 ASN N N 424 121.226 121.226 117.979 3.247 17518
2286 1 5 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.976 -0.402 17518
2287 1 5 . 1 1 5 5 ASN C C 424 174.450 174.450 173.830 0.620 17518
2288 1 5 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.291 0.945 17518
2289 1 5 . 1 1 5 5 ASN CB C 424 38.520 38.520 41.678 -3.158 17518
2290 1 5 . 1 1 5 5 ASN H H 424 8.988 8.988 8.606 0.382 17518
2291 1 5 . 1 1 6 6 LYS N N 425 119.587 119.587 120.579 -0.992 17518
2292 1 5 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.667 0.462 17518
2293 1 5 . 1 1 6 6 LYS C C 425 176.281 176.281 174.722 1.559 17518
2294 1 5 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.125 -0.731 17518
2295 1 5 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.414 0.034 17518
2296 1 5 . 1 1 6 6 LYS H H 425 8.354 8.354 8.402 -0.048 17518
2297 1 5 . 1 1 7 7 VAL N N 426 124.203 124.203 125.236 -1.033 17518
2298 1 5 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.882 -0.420 17518
2299 1 5 . 1 1 7 7 VAL C C 426 174.564 174.564 175.285 -0.721 17518
2300 1 5 . 1 1 7 7 VAL CA C 426 61.369 61.369 61.231 0.138 17518
2301 1 5 . 1 1 7 7 VAL CB C 426 34.432 34.432 33.653 0.779 17518
2302 1 5 . 1 1 7 7 VAL H H 426 8.774 8.774 9.050 -0.276 17518
2303 1 5 . 1 1 8 8 THR N N 427 125.363 125.363 124.621 0.742 17518
2304 1 5 . 1 1 8 8 THR HA H 427 5.326 5.326 5.249 0.077 17518
2305 1 5 . 1 1 8 8 THR C C 427 173.108 173.108 173.179 -0.071 17518
2306 1 5 . 1 1 8 8 THR CA C 427 61.752 61.752 62.099 -0.347 17518
2307 1 5 . 1 1 8 8 THR CB C 427 69.860 69.860 70.189 -0.329 17518
2308 1 5 . 1 1 8 8 THR H H 427 8.851 8.851 9.108 -0.257 17518
2309 1 5 . 1 1 9 9 ILE N N 428 127.015 127.015 126.893 0.122 17518
2310 1 5 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.854 -0.198 17518
2311 1 5 . 1 1 9 9 ILE C C 428 175.404 175.404 174.418 0.986 17518
2312 1 5 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.216 -0.336 17518
2313 1 5 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.803 1.388 17518
2314 1 5 . 1 1 9 9 ILE H H 428 8.628 8.628 9.212 -0.584 17518
2315 1 5 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.414 -0.245 17518
2316 1 5 . 1 1 10 10 TYR C C 429 174.161 174.161 175.029 -0.868 17518
2317 1 5 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.299 2.952 17518
2318 1 5 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.049 1.334 17518
2319 1 5 . 1 1 10 10 TYR H H 429 9.069 9.069 9.140 -0.071 17518
2320 1 5 . 1 1 11 11 TYR N N 430 125.905 125.905 125.875 0.030 17518
2321 1 5 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.687 -0.697 17518
2322 1 5 . 1 1 11 11 TYR C C 430 173.359 173.359 174.138 -0.779 17518
2323 1 5 . 1 1 11 11 TYR CA C 430 56.630 56.630 55.135 1.495 17518
2324 1 5 . 1 1 11 11 TYR CB C 430 42.942 42.942 42.225 0.717 17518
2325 1 5 . 1 1 11 11 TYR H H 430 9.500 9.500 8.943 0.557 17518
2326 1 5 . 1 1 12 12 LYS N N 431 131.688 131.688 126.087 5.601 17518
2327 1 5 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.348 1.014 17518
2328 1 5 . 1 1 12 12 LYS C C 431 172.929 172.929 174.097 -1.168 17518
2329 1 5 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.438 0.430 17518
2330 1 5 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.418 0.753 17518
2331 1 5 . 1 1 12 12 LYS H H 431 8.410 8.410 7.706 0.704 17518
2332 1 5 . 1 1 13 13 LYS N N 432 125.124 125.124 126.141 -1.017 17518
2333 1 5 . 1 1 13 13 LYS HA H 432 3.872 3.872 4.158 -0.286 17518
2334 1 5 . 1 1 13 13 LYS C C 432 180.107 180.107 175.602 4.505 17518
2335 1 5 . 1 1 13 13 LYS CA C 432 52.508 52.508 55.987 -3.479 17518
2336 1 5 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.724 -1.071 17518
2337 1 5 . 1 1 14 14 GLY N N 433 112.761 112.761 112.199 0.562 17518
2338 1 5 . 1 1 14 14 GLY C C 433 174.180 174.180 174.382 -0.202 17518
2339 1 5 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.476 0.866 17518
2340 1 5 . 1 1 14 14 GLY H H 433 7.585 7.585 8.885 -1.300 17518
2341 1 5 . 1 1 15 15 PHE N N 434 121.529 121.529 121.364 0.165 17518
2342 1 5 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.839 -0.148 17518
2343 1 5 . 1 1 15 15 PHE C C 434 175.899 175.899 175.444 0.455 17518
2344 1 5 . 1 1 15 15 PHE CA C 434 57.157 57.157 58.819 -1.662 17518
2345 1 5 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.282 -1.810 17518
2346 1 5 . 1 1 15 15 PHE H H 434 8.454 8.454 8.268 0.186 17518
2347 1 5 . 1 1 16 16 ASN N N 435 117.583 117.583 114.086 3.497 17518
2348 1 5 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.715 -0.316 17518
2349 1 5 . 1 1 16 16 ASN C C 435 176.259 176.259 174.232 2.027 17518
2350 1 5 . 1 1 16 16 ASN CA C 435 56.521 56.521 54.217 2.304 17518
2351 1 5 . 1 1 16 16 ASN CB C 435 39.366 39.366 37.684 1.682 17518
2352 1 5 . 1 1 16 16 ASN H H 435 8.513 8.513 8.574 -0.061 17518
2353 1 5 . 1 1 17 17 SER N N 436 112.889 112.889 116.274 -3.385 17518
2354 1 5 . 1 1 17 17 SER HA H 436 4.798 4.798 4.861 -0.063 17518
2355 1 5 . 1 1 17 17 SER C C 436 171.151 171.151 172.045 -0.894 17518
2356 1 5 . 1 1 17 17 SER CA C 436 53.721 53.721 55.619 -1.898 17518
2357 1 5 . 1 1 17 17 SER CB C 436 63.834 63.834 63.926 -0.092 17518
2358 1 5 . 1 1 17 17 SER H H 436 8.315 8.315 8.317 -0.002 17518
2359 1 5 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.467 0.095 17518
2360 1 5 . 1 1 18 18 PRO C C 437 175.812 175.812 175.725 0.087 17518
2361 1 5 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.272 0.345 17518
2362 1 5 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.595 0.179 17518
2363 1 5 . 1 1 19 19 TYR N N 438 122.060 122.060 119.141 2.919 17518
2364 1 5 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.867 -0.037 17518
2365 1 5 . 1 1 19 19 TYR C C 438 174.732 174.732 174.835 -0.103 17518
2366 1 5 . 1 1 19 19 TYR CA C 438 56.729 56.729 56.849 -0.120 17518
2367 1 5 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.630 -0.872 17518
2368 1 5 . 1 1 19 19 TYR H H 438 9.072 9.072 9.091 -0.019 17518
2369 1 5 . 1 1 20 20 ILE N N 439 118.018 118.018 120.412 -2.394 17518
2370 1 5 . 1 1 20 20 ILE HA H 439 4.988 4.988 5.062 -0.074 17518
2371 1 5 . 1 1 20 20 ILE C C 439 171.341 171.341 174.615 -3.274 17518
2372 1 5 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.560 -0.987 17518
2373 1 5 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.160 0.498 17518
2374 1 5 . 1 1 20 20 ILE H H 439 9.164 9.164 9.101 0.063 17518
2375 1 5 . 1 1 21 21 HIS N N 440 133.346 133.346 130.277 3.069 17518
2376 1 5 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.914 0.461 17518
2377 1 5 . 1 1 21 21 HIS C C 440 174.947 174.947 173.716 1.231 17518
2378 1 5 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.509 -0.708 17518
2379 1 5 . 1 1 21 21 HIS CB C 440 35.001 35.001 31.311 3.690 17518
2380 1 5 . 1 1 21 21 HIS H H 440 8.843 8.843 8.523 0.320 17518
2381 1 5 . 1 1 22 22 TYR N N 441 121.863 121.863 123.469 -1.606 17518
2382 1 5 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.415 0.642 17518
2383 1 5 . 1 1 22 22 TYR C C 441 173.567 173.567 173.093 0.474 17518
2384 1 5 . 1 1 22 22 TYR CA C 441 56.693 56.693 55.207 1.486 17518
2385 1 5 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.832 0.964 17518
2386 1 5 . 1 1 22 22 TYR H H 441 8.231 8.231 7.835 0.396 17518
2387 1 5 . 1 1 23 23 ARG N N 442 116.788 116.788 118.562 -1.774 17518
2388 1 5 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.864 -0.233 17518
2389 1 5 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.688 -0.328 17518
2390 1 5 . 1 1 23 23 ARG CB C 442 32.314 32.314 31.987 0.327 17518
2391 1 5 . 1 1 23 23 ARG H H 442 8.456 8.456 8.699 -0.243 17518
2392 1 5 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.449 0.058 17518
2393 1 5 . 1 1 24 24 PRO C C 443 176.258 176.258 176.064 0.194 17518
2394 1 5 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.821 0.423 17518
2395 1 5 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.229 -0.032 17518
2396 1 5 . 1 1 25 25 ALA N N 444 125.666 125.666 127.277 -1.611 17518
2397 1 5 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.952 0.006 17518
2398 1 5 . 1 1 25 25 ALA C C 444 179.221 179.221 178.595 0.626 17518
2399 1 5 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.583 0.597 17518
2400 1 5 . 1 1 25 25 ALA CB C 444 18.420 18.420 18.880 -0.459 17518
2401 1 5 . 1 1 25 25 ALA H H 444 8.230 8.230 8.148 0.082 17518
2402 1 5 . 1 1 26 26 GLY N N 445 112.217 112.217 110.030 2.187 17518
2403 1 5 . 1 1 26 26 GLY C C 445 174.734 174.734 174.342 0.392 17518
2404 1 5 . 1 1 26 26 GLY CA C 445 45.662 45.662 45.626 0.036 17518
2405 1 5 . 1 1 26 26 GLY H H 445 8.591 8.591 8.600 -0.009 17518
2406 1 5 . 1 1 27 27 GLY N N 446 109.489 109.489 108.282 1.207 17518
2407 1 5 . 1 1 27 27 GLY C C 446 173.379 173.379 172.726 0.653 17518
2408 1 5 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.689 -0.572 17518
2409 1 5 . 1 1 27 27 GLY H H 446 8.380 8.380 8.235 0.145 17518
2410 1 5 . 1 1 28 28 SER N N 447 117.275 117.275 114.241 3.034 17518
2411 1 5 . 1 1 28 28 SER HA H 447 4.637 4.637 4.628 0.009 17518
2412 1 5 . 1 1 28 28 SER C C 447 173.759 173.759 173.019 0.740 17518
2413 1 5 . 1 1 28 28 SER CA C 447 57.410 57.410 57.614 -0.204 17518
2414 1 5 . 1 1 28 28 SER CB C 447 65.022 65.022 65.604 -0.582 17518
2415 1 5 . 1 1 28 28 SER H H 447 8.585 8.585 8.240 0.345 17518
2416 1 5 . 1 1 29 29 TRP N N 448 123.426 123.426 122.409 1.017 17518
2417 1 5 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.810 -0.417 17518
2418 1 5 . 1 1 29 29 TRP C C 448 178.997 178.997 177.529 1.468 17518
2419 1 5 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.852 0.314 17518
2420 1 5 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.275 0.331 17518
2421 1 5 . 1 1 29 29 TRP H H 448 8.346 8.346 8.599 -0.253 17518
2422 1 5 . 1 1 30 30 THR N N 449 111.168 111.168 115.669 -4.501 17518
2423 1 5 . 1 1 30 30 THR HA H 449 3.978 3.978 4.318 -0.340 17518
2424 1 5 . 1 1 30 30 THR C C 449 174.707 174.707 174.137 0.570 17518
2425 1 5 . 1 1 30 30 THR CA C 449 61.317 61.317 61.489 -0.172 17518
2426 1 5 . 1 1 30 30 THR CB C 449 70.526 70.526 69.185 1.341 17518
2427 1 5 . 1 1 30 30 THR H H 449 7.888 7.888 8.436 -0.548 17518
2428 1 5 . 1 1 31 31 ALA N N 450 122.982 122.982 123.592 -0.610 17518
2429 1 5 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.294 0.105 17518
2430 1 5 . 1 1 31 31 ALA C C 450 178.443 178.443 176.465 1.978 17518
2431 1 5 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.314 0.570 17518
2432 1 5 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.502 -0.441 17518
2433 1 5 . 1 1 31 31 ALA H H 450 8.383 8.383 8.298 0.085 17518
2434 1 5 . 1 1 32 32 ALA N N 451 129.780 129.780 127.407 2.373 17518
2435 1 5 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.271 -0.413 17518
2436 1 5 . 1 1 32 32 ALA C C 451 175.997 175.997 175.867 0.130 17518
2437 1 5 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.717 1.094 17518
2438 1 5 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.693 -2.447 17518
2439 1 5 . 1 1 32 32 ALA H H 451 8.778 8.778 8.303 0.475 17518
2440 1 5 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.462 -0.618 17518
2441 1 5 . 1 1 33 33 PRO C C 452 173.297 173.297 176.930 -3.633 17518
2442 1 5 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.379 1.353 17518
2443 1 5 . 1 1 33 33 PRO CB C 452 33.646 33.646 31.900 1.746 17518
2444 1 5 . 1 1 34 34 GLY N N 453 112.150 112.150 112.362 -0.212 17518
2445 1 5 . 1 1 34 34 GLY C C 453 174.011 174.011 173.641 0.370 17518
2446 1 5 . 1 1 34 34 GLY CA C 453 43.995 43.995 45.241 -1.246 17518
2447 1 5 . 1 1 34 34 GLY H H 453 8.685 8.685 7.981 0.704 17518
2448 1 5 . 1 1 35 35 VAL N N 454 123.276 123.276 123.165 0.111 17518
2449 1 5 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.322 0.024 17518
2450 1 5 . 1 1 35 35 VAL C C 454 174.782 174.782 174.989 -0.207 17518
2451 1 5 . 1 1 35 35 VAL CA C 454 60.959 60.959 60.221 0.738 17518
2452 1 5 . 1 1 35 35 VAL CB C 454 34.857 34.857 34.643 0.214 17518
2453 1 5 . 1 1 35 35 VAL H H 454 9.287 9.287 8.458 0.829 17518
2454 1 5 . 1 1 36 36 LYS N N 455 128.135 128.135 129.782 -1.647 17518
2455 1 5 . 1 1 36 36 LYS HA H 455 3.061 3.061 3.812 -0.751 17518
2456 1 5 . 1 1 36 36 LYS C C 455 176.438 176.438 176.121 0.317 17518
2457 1 5 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.787 0.436 17518
2458 1 5 . 1 1 36 36 LYS CB C 455 32.619 32.619 31.201 1.418 17518
2459 1 5 . 1 1 36 36 LYS H H 455 8.443 8.443 8.667 -0.224 17518
2460 1 5 . 1 1 37 37 MET N N 456 124.850 124.850 126.946 -2.096 17518
2461 1 5 . 1 1 37 37 MET HA H 456 4.207 4.207 4.186 0.021 17518
2462 1 5 . 1 1 37 37 MET C C 456 175.590 175.590 176.625 -1.035 17518
2463 1 5 . 1 1 37 37 MET CA C 456 56.409 56.409 57.580 -1.171 17518
2464 1 5 . 1 1 37 37 MET CB C 456 34.978 34.978 32.814 2.164 17518
2465 1 5 . 1 1 37 37 MET H H 456 8.121 8.121 8.117 0.004 17518
2466 1 5 . 1 1 38 38 GLN N N 457 121.555 121.555 121.799 -0.244 17518
2467 1 5 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.219 0.174 17518
2468 1 5 . 1 1 38 38 GLN C C 457 175.737 175.737 175.404 0.333 17518
2469 1 5 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.120 -1.337 17518
2470 1 5 . 1 1 38 38 GLN CB C 457 30.307 30.307 29.394 0.913 17518
2471 1 5 . 1 1 38 38 GLN H H 457 8.441 8.441 8.958 -0.517 17518
2472 1 5 . 1 1 39 39 ASP N N 458 121.629 121.629 119.076 2.553 17518
2473 1 5 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.708 0.023 17518
2474 1 5 . 1 1 39 39 ASP C C 458 176.733 176.733 175.200 1.533 17518
2475 1 5 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.321 1.936 17518
2476 1 5 . 1 1 39 39 ASP CB C 458 40.358 40.358 41.090 -0.732 17518
2477 1 5 . 1 1 39 39 ASP H H 458 8.720 8.720 8.516 0.204 17518
2478 1 5 . 1 1 40 40 ALA N N 459 122.646 122.646 126.188 -3.542 17518
2479 1 5 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.640 -0.348 17518
2480 1 5 . 1 1 40 40 ALA C C 459 175.201 175.201 177.734 -2.533 17518
2481 1 5 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.134 0.422 17518
2482 1 5 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.623 2.325 17518
2483 1 5 . 1 1 40 40 ALA H H 459 8.423 8.423 8.826 -0.403 17518
2484 1 5 . 1 1 41 41 GLU N N 460 120.190 120.190 126.260 -6.070 17518
2485 1 5 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.911 0.396 17518
2486 1 5 . 1 1 41 41 GLU C C 460 174.722 174.722 177.748 -3.026 17518
2487 1 5 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.437 -0.918 17518
2488 1 5 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.133 -1.796 17518
2489 1 5 . 1 1 41 41 GLU H H 460 10.341 10.341 8.864 1.477 17518
2490 1 5 . 1 1 42 42 ILE N N 461 119.473 119.473 118.301 1.172 17518
2491 1 5 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.645 0.666 17518
2492 1 5 . 1 1 42 42 ILE C C 461 174.959 174.959 176.211 -1.252 17518
2493 1 5 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.450 -4.484 17518
2494 1 5 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.040 2.705 17518
2495 1 5 . 1 1 42 42 ILE H H 461 6.466 6.466 7.767 -1.301 17518
2496 1 5 . 1 1 43 43 SER N N 462 121.292 121.292 111.082 10.210 17518
2497 1 5 . 1 1 43 43 SER HA H 462 4.297 4.297 4.487 -0.190 17518
2498 1 5 . 1 1 43 43 SER C C 462 175.624 175.624 173.671 1.953 17518
2499 1 5 . 1 1 43 43 SER CA C 462 60.112 60.112 58.353 1.759 17518
2500 1 5 . 1 1 43 43 SER CB C 462 63.116 63.116 62.944 0.172 17518
2501 1 5 . 1 1 43 43 SER H H 462 8.584 8.584 7.735 0.849 17518
2502 1 5 . 1 1 44 44 GLY N N 463 111.896 111.896 107.215 4.681 17518
2503 1 5 . 1 1 44 44 GLY C C 463 173.823 173.823 173.170 0.653 17518
2504 1 5 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.402 -0.523 17518
2505 1 5 . 1 1 44 44 GLY H H 463 8.623 8.623 7.960 0.663 17518
2506 1 5 . 1 1 45 45 TYR N N 464 116.379 116.379 119.871 -3.492 17518
2507 1 5 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.701 0.997 17518
2508 1 5 . 1 1 45 45 TYR C C 464 175.693 175.693 173.303 2.390 17518
2509 1 5 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.900 -0.288 17518
2510 1 5 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.531 -0.607 17518
2511 1 5 . 1 1 45 45 TYR H H 464 7.803 7.803 8.106 -0.303 17518
2512 1 5 . 1 1 46 46 ALA N N 465 126.206 126.206 120.127 6.079 17518
2513 1 5 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.492 -0.155 17518
2514 1 5 . 1 1 46 46 ALA C C 465 176.129 176.129 175.965 0.164 17518
2515 1 5 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.729 0.727 17518
2516 1 5 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.203 2.143 17518
2517 1 5 . 1 1 46 46 ALA H H 465 9.910 9.910 9.252 0.658 17518
2518 1 5 . 1 1 47 47 LYS N N 466 120.226 120.226 120.192 0.034 17518
2519 1 5 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.363 0.309 17518
2520 1 5 . 1 1 47 47 LYS C C 466 173.880 173.880 174.897 -1.017 17518
2521 1 5 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.372 0.034 17518
2522 1 5 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.852 0.308 17518
2523 1 5 . 1 1 47 47 LYS H H 466 9.373 9.373 8.333 1.040 17518
2524 1 5 . 1 1 48 48 ILE N N 467 120.505 120.505 121.664 -1.159 17518
2525 1 5 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.531 -0.128 17518
2526 1 5 . 1 1 48 48 ILE C C 467 171.247 171.247 173.335 -2.088 17518
2527 1 5 . 1 1 48 48 ILE CA C 467 60.382 60.382 61.198 -0.816 17518
2528 1 5 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.799 -0.265 17518
2529 1 5 . 1 1 48 48 ILE H H 467 8.085 8.085 8.855 -0.770 17518
2530 1 5 . 1 1 49 49 THR N N 468 122.247 122.247 124.351 -2.104 17518
2531 1 5 . 1 1 49 49 THR HA H 468 5.301 5.301 5.249 0.052 17518
2532 1 5 . 1 1 49 49 THR C C 468 173.694 173.694 173.673 0.021 17518
2533 1 5 . 1 1 49 49 THR CA C 468 61.871 61.871 60.772 1.099 17518
2534 1 5 . 1 1 49 49 THR CB C 468 70.649 70.649 70.153 0.496 17518
2535 1 5 . 1 1 49 49 THR H H 468 7.954 7.954 8.251 -0.297 17518
2536 1 5 . 1 1 50 50 VAL N N 469 126.076 126.076 125.213 0.863 17518
2537 1 5 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.160 -0.049 17518
2538 1 5 . 1 1 50 50 VAL C C 469 173.826 173.826 174.146 -0.320 17518
2539 1 5 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.649 -0.450 17518
2540 1 5 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.581 -0.532 17518
2541 1 5 . 1 1 50 50 VAL H H 469 9.242 9.242 8.915 0.327 17518
2542 1 5 . 1 1 51 51 ASP N N 470 126.346 126.346 124.889 1.457 17518
2543 1 5 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.817 0.096 17518
2544 1 5 . 1 1 51 51 ASP C C 470 177.013 177.013 176.269 0.744 17518
2545 1 5 . 1 1 51 51 ASP CA C 470 53.014 53.014 53.947 -0.933 17518
2546 1 5 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.092 -0.173 17518
2547 1 5 . 1 1 51 51 ASP H H 470 8.476 8.476 8.608 -0.132 17518
2548 1 5 . 1 1 52 52 ILE N N 471 118.935 118.935 118.540 0.395 17518
2549 1 5 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.556 -0.018 17518
2550 1 5 . 1 1 52 52 ILE C C 471 176.991 176.991 176.615 0.376 17518
2551 1 5 . 1 1 52 52 ILE CA C 471 59.992 59.992 59.829 0.163 17518
2552 1 5 . 1 1 52 52 ILE CB C 471 38.002 38.002 38.671 -0.669 17518
2553 1 5 . 1 1 52 52 ILE H H 471 8.728 8.728 8.134 0.594 17518
2554 1 5 . 1 1 53 53 GLY N N 472 114.498 114.498 111.150 3.348 17518
2555 1 5 . 1 1 53 53 GLY C C 472 174.971 174.971 175.326 -0.355 17518
2556 1 5 . 1 1 53 53 GLY CA C 472 47.668 47.668 47.296 0.372 17518
2557 1 5 . 1 1 53 53 GLY H H 472 9.078 9.078 9.117 -0.038 17518
2558 1 5 . 1 1 54 54 SER N N 473 120.546 120.546 114.645 5.901 17518
2559 1 5 . 1 1 54 54 SER HA H 473 4.426 4.426 4.532 -0.106 17518
2560 1 5 . 1 1 54 54 SER C C 473 174.975 174.975 172.997 1.978 17518
2561 1 5 . 1 1 54 54 SER CA C 473 58.417 58.417 58.155 0.262 17518
2562 1 5 . 1 1 54 54 SER CB C 473 63.632 63.632 64.153 -0.521 17518
2563 1 5 . 1 1 54 54 SER H H 473 8.808 8.808 8.136 0.672 17518
2564 1 5 . 1 1 55 55 ALA N N 474 125.402 125.402 123.130 2.272 17518
2565 1 5 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.697 -0.331 17518
2566 1 5 . 1 1 55 55 ALA C C 474 176.116 176.116 176.364 -0.248 17518
2567 1 5 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.552 0.820 17518
2568 1 5 . 1 1 55 55 ALA CB C 474 20.315 20.315 20.621 -0.306 17518
2569 1 5 . 1 1 55 55 ALA H H 474 7.738 7.738 7.782 -0.044 17518
2570 1 5 . 1 1 56 56 SER N N 475 110.149 110.149 116.079 -5.930 17518
2571 1 5 . 1 1 56 56 SER HA H 475 4.539 4.539 4.247 0.292 17518
2572 1 5 . 1 1 56 56 SER C C 475 173.662 173.662 174.124 -0.462 17518
2573 1 5 . 1 1 56 56 SER CA C 475 58.121 58.121 59.693 -1.571 17518
2574 1 5 . 1 1 56 56 SER CB C 475 65.000 65.000 63.656 1.344 17518
2575 1 5 . 1 1 56 56 SER H H 475 8.756 8.756 8.671 0.085 17518
2576 1 5 . 1 1 57 57 GLN N N 476 117.023 117.023 115.288 1.735 17518
2577 1 5 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.783 0.275 17518
2578 1 5 . 1 1 57 57 GLN C C 476 173.042 173.042 173.363 -0.321 17518
2579 1 5 . 1 1 57 57 GLN CA C 476 54.224 54.224 54.871 -0.647 17518
2580 1 5 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.618 -0.009 17518
2581 1 5 . 1 1 57 57 GLN H H 476 7.139 7.139 7.282 -0.143 17518
2582 1 5 . 1 1 58 58 LEU N N 477 121.156 121.156 120.875 0.281 17518
2583 1 5 . 1 1 58 58 LEU HA H 477 4.746 4.746 4.949 -0.203 17518
2584 1 5 . 1 1 58 58 LEU C C 477 173.922 173.922 174.009 -0.087 17518
2585 1 5 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.209 -0.701 17518
2586 1 5 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.711 0.569 17518
2587 1 5 . 1 1 58 58 LEU H H 477 9.149 9.149 9.221 -0.072 17518
2588 1 5 . 1 1 59 59 GLU N N 478 126.375 126.375 124.122 2.253 17518
2589 1 5 . 1 1 59 59 GLU HA H 478 5.356 5.356 4.967 0.389 17518
2590 1 5 . 1 1 59 59 GLU C C 478 175.481 175.481 175.305 0.176 17518
2591 1 5 . 1 1 59 59 GLU CA C 478 54.597 54.597 54.967 -0.370 17518
2592 1 5 . 1 1 59 59 GLU CB C 478 32.759 32.759 32.426 0.333 17518
2593 1 5 . 1 1 59 59 GLU H H 478 8.558 8.558 8.855 -0.297 17518
2594 1 5 . 1 1 60 60 ALA N N 479 124.321 124.321 124.866 -0.545 17518
2595 1 5 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.550 0.242 17518
2596 1 5 . 1 1 60 60 ALA C C 479 174.955 174.955 175.227 -0.272 17518
2597 1 5 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.781 0.360 17518
2598 1 5 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.776 1.318 17518
2599 1 5 . 1 1 60 60 ALA H H 479 9.614 9.614 8.644 0.970 17518
2600 1 5 . 1 1 61 61 ALA N N 480 120.954 120.954 121.876 -0.922 17518
2601 1 5 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.033 -0.239 17518
2602 1 5 . 1 1 61 61 ALA C C 480 174.782 174.782 175.132 -0.350 17518
2603 1 5 . 1 1 61 61 ALA CA C 480 51.257 51.257 51.160 0.097 17518
2604 1 5 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.694 0.520 17518
2605 1 5 . 1 1 61 61 ALA H H 480 9.346 9.346 8.622 0.724 17518
2606 1 5 . 1 1 62 62 PHE N N 481 117.021 117.021 122.472 -5.451 17518
2607 1 5 . 1 1 62 62 PHE HA H 481 5.884 5.884 5.072 0.812 17518
2608 1 5 . 1 1 62 62 PHE C C 481 175.044 175.044 173.162 1.882 17518
2609 1 5 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.060 1.528 17518
2610 1 5 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.830 0.433 17518
2611 1 5 . 1 1 62 62 PHE H H 481 8.351 8.351 8.997 -0.646 17518
2612 1 5 . 1 1 63 63 ASN N N 482 116.362 116.362 122.193 -5.831 17518
2613 1 5 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.486 0.622 17518
2614 1 5 . 1 1 63 63 ASN C C 482 172.088 172.088 174.518 -2.430 17518
2615 1 5 . 1 1 63 63 ASN CA C 482 53.710 53.710 52.214 1.496 17518
2616 1 5 . 1 1 63 63 ASN CB C 482 41.348 41.348 40.904 0.444 17518
2617 1 5 . 1 1 63 63 ASN H H 482 9.077 9.077 8.619 0.458 17518
2618 1 5 . 1 1 64 64 ASP N N 483 118.002 118.002 120.956 -2.954 17518
2619 1 5 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.199 -0.015 17518
2620 1 5 . 1 1 64 64 ASP C C 483 177.271 177.271 177.358 -0.087 17518
2621 1 5 . 1 1 64 64 ASP CA C 483 52.301 52.301 54.258 -1.957 17518
2622 1 5 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.655 1.232 17518
2623 1 5 . 1 1 64 64 ASP H H 483 7.482 7.482 8.043 -0.561 17518
2624 1 5 . 1 1 65 65 GLY N N 484 110.602 110.602 108.288 2.314 17518
2625 1 5 . 1 1 65 65 GLY C C 484 173.156 173.156 173.933 -0.777 17518
2626 1 5 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.556 0.059 17518
2627 1 5 . 1 1 65 65 GLY H H 484 8.696 8.696 7.691 1.005 17518
2628 1 5 . 1 1 66 66 ASN N N 485 120.867 120.867 119.054 1.813 17518
2629 1 5 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.639 0.065 17518
2630 1 5 . 1 1 66 66 ASN C C 485 174.442 174.442 174.720 -0.278 17518
2631 1 5 . 1 1 66 66 ASN CA C 485 52.311 52.311 54.796 -2.485 17518
2632 1 5 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.273 0.218 17518
2633 1 5 . 1 1 66 66 ASN H H 485 8.371 8.371 8.428 -0.057 17518
2634 1 5 . 1 1 67 67 ASN N N 486 113.518 113.518 115.211 -1.693 17518
2635 1 5 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.893 -0.715 17518
2636 1 5 . 1 1 67 67 ASN C C 486 173.845 173.845 173.635 0.210 17518
2637 1 5 . 1 1 67 67 ASN CA C 486 54.486 54.486 52.941 1.545 17518
2638 1 5 . 1 1 67 67 ASN CB C 486 38.267 38.267 40.980 -2.713 17518
2639 1 5 . 1 1 67 67 ASN H H 486 8.700 8.700 8.388 0.312 17518
2640 1 5 . 1 1 68 68 ASN N N 487 118.464 118.464 120.033 -1.569 17518
2641 1 5 . 1 1 68 68 ASN HA H 487 5.058 5.058 5.128 -0.070 17518
2642 1 5 . 1 1 68 68 ASN C C 487 173.449 173.449 173.382 0.067 17518
2643 1 5 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.755 0.513 17518
2644 1 5 . 1 1 68 68 ASN CB C 487 38.813 38.813 40.442 -1.629 17518
2645 1 5 . 1 1 68 68 ASN H H 487 7.975 7.975 8.655 -0.680 17518
2646 1 5 . 1 1 69 69 TRP N N 488 120.817 120.817 122.253 -1.436 17518
2647 1 5 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.892 -0.070 17518
2648 1 5 . 1 1 69 69 TRP C C 488 176.268 176.268 175.524 0.744 17518
2649 1 5 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.748 1.430 17518
2650 1 5 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.856 0.475 17518
2651 1 5 . 1 1 69 69 TRP H H 488 8.771 8.771 8.659 0.112 17518
2652 1 5 . 1 1 70 70 ASP N N 489 122.179 122.179 118.822 3.357 17518
2653 1 5 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.061 0.135 17518
2654 1 5 . 1 1 70 70 ASP C C 489 175.441 175.441 174.415 1.026 17518
2655 1 5 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.639 -1.294 17518
2656 1 5 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.873 -1.905 17518
2657 1 5 . 1 1 70 70 ASP H H 489 9.795 9.795 8.663 1.132 17518
2658 1 5 . 1 1 71 71 SER N N 490 117.314 117.314 119.356 -2.042 17518
2659 1 5 . 1 1 71 71 SER HA H 490 5.084 5.084 4.771 0.313 17518
2660 1 5 . 1 1 71 71 SER C C 490 175.277 175.277 174.408 0.869 17518
2661 1 5 . 1 1 71 71 SER CA C 490 56.099 56.099 57.656 -1.557 17518
2662 1 5 . 1 1 71 71 SER CB C 490 66.550 66.550 65.954 0.596 17518
2663 1 5 . 1 1 71 71 SER H H 490 9.238 9.238 8.464 0.774 17518
2664 1 5 . 1 1 72 72 ASN N N 491 122.911 122.911 125.140 -2.229 17518
2665 1 5 . 1 1 72 72 ASN HA H 491 4.367 4.367 3.674 0.694 17518
2666 1 5 . 1 1 72 72 ASN C C 491 176.857 176.857 175.344 1.513 17518
2667 1 5 . 1 1 72 72 ASN CA C 491 53.192 53.192 54.344 -1.152 17518
2668 1 5 . 1 1 72 72 ASN CB C 491 35.574 35.574 37.404 -1.829 17518
2669 1 5 . 1 1 72 72 ASN H H 491 8.536 8.536 7.305 1.231 17518
2670 1 5 . 1 1 73 73 ASN N N 492 116.146 116.146 114.845 1.301 17518
2671 1 5 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.449 -0.064 17518
2672 1 5 . 1 1 73 73 ASN C C 492 176.335 176.335 174.380 1.955 17518
2673 1 5 . 1 1 73 73 ASN CA C 492 54.488 54.488 56.175 -1.687 17518
2674 1 5 . 1 1 73 73 ASN CB C 492 37.331 37.331 37.749 -0.418 17518
2675 1 5 . 1 1 73 73 ASN H H 492 9.086 9.086 8.728 0.358 17518
2676 1 5 . 1 1 74 74 THR N N 493 110.420 110.420 112.377 -1.957 17518
2677 1 5 . 1 1 74 74 THR HA H 493 3.779 3.779 4.325 -0.546 17518
2678 1 5 . 1 1 74 74 THR C C 493 173.194 173.194 173.068 0.126 17518
2679 1 5 . 1 1 74 74 THR CA C 493 65.027 65.027 62.898 2.129 17518
2680 1 5 . 1 1 74 74 THR CB C 493 69.730 69.730 68.797 0.933 17518
2681 1 5 . 1 1 74 74 THR H H 493 7.782 7.782 7.965 -0.183 17518
2682 1 5 . 1 1 75 75 LYS N N 494 121.968 121.968 119.829 2.139 17518
2683 1 5 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.450 -0.383 17518
2684 1 5 . 1 1 75 75 LYS C C 494 177.470 177.470 174.839 2.631 17518
2685 1 5 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.328 1.681 17518
2686 1 5 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.935 -3.349 17518
2687 1 5 . 1 1 75 75 LYS H H 494 7.652 7.652 8.500 -0.848 17518
2688 1 5 . 1 1 76 76 ASN N N 495 108.525 108.525 115.092 -6.567 17518
2689 1 5 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.614 -0.684 17518
2690 1 5 . 1 1 76 76 ASN C C 495 172.085 172.085 173.306 -1.221 17518
2691 1 5 . 1 1 76 76 ASN CA C 495 54.413 54.413 53.174 1.239 17518
2692 1 5 . 1 1 76 76 ASN CB C 495 39.048 39.048 39.565 -0.517 17518
2693 1 5 . 1 1 76 76 ASN H H 495 8.197 8.197 7.641 0.556 17518
2694 1 5 . 1 1 77 77 TYR N N 496 118.076 118.076 121.527 -3.451 17518
2695 1 5 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.581 0.212 17518
2696 1 5 . 1 1 77 77 TYR C C 496 175.074 175.074 174.812 0.262 17518
2697 1 5 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.899 -0.228 17518
2698 1 5 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.799 0.986 17518
2699 1 5 . 1 1 77 77 TYR H H 496 9.133 9.133 8.629 0.504 17518
2700 1 5 . 1 1 78 78 SER N N 497 116.400 116.400 115.441 0.959 17518
2701 1 5 . 1 1 78 78 SER HA H 497 5.345 5.345 4.730 0.615 17518
2702 1 5 . 1 1 78 78 SER C C 497 173.130 173.130 172.845 0.285 17518
2703 1 5 . 1 1 78 78 SER CA C 497 57.191 57.191 56.219 0.972 17518
2704 1 5 . 1 1 78 78 SER CB C 497 64.293 64.293 64.606 -0.313 17518
2705 1 5 . 1 1 78 78 SER H H 497 8.204 8.204 8.220 -0.016 17518
2706 1 5 . 1 1 79 79 PHE N N 498 123.023 123.023 124.534 -1.511 17518
2707 1 5 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.918 -0.108 17518
2708 1 5 . 1 1 79 79 PHE C C 498 175.275 175.275 174.394 0.881 17518
2709 1 5 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.529 0.478 17518
2710 1 5 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.695 -0.706 17518
2711 1 5 . 1 1 79 79 PHE H H 498 9.054 9.054 9.194 -0.140 17518
2712 1 5 . 1 1 80 80 SER N N 499 117.002 117.002 116.313 0.689 17518
2713 1 5 . 1 1 80 80 SER HA H 499 4.997 4.997 4.883 0.114 17518
2714 1 5 . 1 1 80 80 SER C C 499 173.356 173.356 174.636 -1.280 17518
2715 1 5 . 1 1 80 80 SER CA C 499 57.357 57.357 56.791 0.566 17518
2716 1 5 . 1 1 80 80 SER CB C 499 65.301 65.301 64.965 0.336 17518
2717 1 5 . 1 1 80 80 SER H H 499 8.804 8.804 8.450 0.354 17518
2718 1 5 . 1 1 81 81 THR N N 500 112.529 112.529 114.244 -1.715 17518
2719 1 5 . 1 1 81 81 THR HA H 500 3.820 3.820 3.667 0.153 17518
2720 1 5 . 1 1 81 81 THR C C 500 174.378 174.378 175.267 -0.889 17518
2721 1 5 . 1 1 81 81 THR CA C 500 64.220 64.220 63.226 0.994 17518
2722 1 5 . 1 1 81 81 THR CB C 500 69.475 69.475 68.818 0.657 17518
2723 1 5 . 1 1 81 81 THR H H 500 7.559 7.559 8.230 -0.671 17518
2724 1 5 . 1 1 82 82 GLY N N 501 112.234 112.234 113.310 -1.076 17518
2725 1 5 . 1 1 82 82 GLY C C 501 174.342 174.342 171.921 2.421 17518
2726 1 5 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.559 -0.764 17518
2727 1 5 . 1 1 82 82 GLY H H 501 8.409 8.409 8.397 0.012 17518
2728 1 5 . 1 1 83 83 THR N N 502 120.411 120.411 116.303 4.108 17518
2729 1 5 . 1 1 83 83 THR HA H 502 5.487 5.487 5.232 0.255 17518
2730 1 5 . 1 1 83 83 THR C C 502 174.798 174.798 173.053 1.745 17518
2731 1 5 . 1 1 83 83 THR CA C 502 62.497 62.497 61.085 1.412 17518
2732 1 5 . 1 1 83 83 THR CB C 502 69.978 69.978 71.128 -1.150 17518
2733 1 5 . 1 1 83 83 THR H H 502 8.729 8.729 8.077 0.652 17518
2734 1 5 . 1 1 84 84 SER N N 503 123.023 123.023 121.148 1.875 17518
2735 1 5 . 1 1 84 84 SER HA H 503 5.409 5.409 5.128 0.281 17518
2736 1 5 . 1 1 84 84 SER C C 503 171.976 171.976 173.117 -1.141 17518
2737 1 5 . 1 1 84 84 SER CA C 503 58.675 58.675 56.514 2.161 17518
2738 1 5 . 1 1 84 84 SER CB C 503 67.607 67.607 66.063 1.544 17518
2739 1 5 . 1 1 84 84 SER H H 503 9.121 9.121 9.029 0.092 17518
2740 1 5 . 1 1 85 85 THR N N 504 118.388 118.388 118.769 -0.381 17518
2741 1 5 . 1 1 85 85 THR HA H 504 5.241 5.241 5.157 0.084 17518
2742 1 5 . 1 1 85 85 THR C C 504 172.930 172.930 172.830 0.100 17518
2743 1 5 . 1 1 85 85 THR CA C 504 62.672 62.672 61.984 0.688 17518
2744 1 5 . 1 1 85 85 THR CB C 504 70.641 70.641 71.444 -0.803 17518
2745 1 5 . 1 1 85 85 THR H H 504 9.445 9.445 8.533 0.912 17518
2746 1 5 . 1 1 86 86 TYR N N 505 129.195 129.195 128.853 0.342 17518
2747 1 5 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.652 -0.543 17518
2748 1 5 . 1 1 86 86 TYR C C 505 173.063 173.063 173.840 -0.777 17518
2749 1 5 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.282 1.998 17518
2750 1 5 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.290 -0.630 17518
2751 1 5 . 1 1 86 86 TYR H H 505 9.858 9.858 9.624 0.234 17518
2752 1 5 . 1 1 87 87 THR N N 506 124.861 124.861 122.591 2.270 17518
2753 1 5 . 1 1 87 87 THR HA H 506 4.288 4.288 4.635 -0.347 17518
2754 1 5 . 1 1 87 87 THR C C 506 171.472 171.472 171.633 -0.161 17518
2755 1 5 . 1 1 87 87 THR CA C 506 58.917 58.917 59.000 -0.083 17518
2756 1 5 . 1 1 87 87 THR CB C 506 70.055 70.055 71.154 -1.099 17518
2757 1 5 . 1 1 87 87 THR H H 506 7.906 7.906 8.871 -0.965 17518
2758 1 5 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.431 -0.425 17518
2759 1 5 . 1 1 88 88 PRO C C 507 176.975 176.975 176.661 0.314 17518
2760 1 5 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.296 0.702 17518
2761 1 5 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.883 -0.509 17518
2762 1 5 . 1 1 89 89 GLY N N 508 108.823 108.823 108.754 0.069 17518
2763 1 5 . 1 1 89 89 GLY C C 508 173.757 173.757 172.761 0.996 17518
2764 1 5 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.409 -0.331 17518
2765 1 5 . 1 1 89 89 GLY H H 508 8.294 8.294 8.261 0.033 17518
2766 1 5 . 1 1 90 90 ASN N N 509 117.850 117.850 115.407 2.443 17518
2767 1 5 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.641 0.082 17518
2768 1 5 . 1 1 90 90 ASN C C 509 176.078 176.078 174.246 1.832 17518
2769 1 5 . 1 1 90 90 ASN CA C 509 52.906 52.906 52.880 0.026 17518
2770 1 5 . 1 1 90 90 ASN CB C 509 39.922 39.922 39.403 0.519 17518
2771 1 5 . 1 1 90 90 ASN H H 509 8.434 8.434 8.389 0.045 17518
2772 1 5 . 1 1 91 91 SER N N 510 114.973 114.973 115.482 -0.509 17518
2773 1 5 . 1 1 91 91 SER HA H 510 4.133 4.133 4.141 -0.008 17518
2774 1 5 . 1 1 91 91 SER C C 510 174.773 174.773 174.353 0.420 17518
2775 1 5 . 1 1 91 91 SER CA C 510 58.662 58.662 60.492 -1.830 17518
2776 1 5 . 1 1 91 91 SER CB C 510 62.209 62.209 62.415 -0.206 17518
2777 1 5 . 1 1 91 91 SER H H 510 8.819 8.819 8.920 -0.101 17518
2778 1 5 . 1 1 92 92 GLY N N 511 108.552 108.552 109.264 -0.712 17518
2779 1 5 . 1 1 92 92 GLY C C 511 174.613 174.613 174.261 0.352 17518
2780 1 5 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.230 0.033 17518
2781 1 5 . 1 1 92 92 GLY H H 511 8.472 8.472 8.493 -0.021 17518
2782 1 5 . 1 1 93 93 ASN N N 512 119.035 119.035 120.353 -1.318 17518
2783 1 5 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.895 -0.125 17518
2784 1 5 . 1 1 93 93 ASN C C 512 174.627 174.627 173.236 1.391 17518
2785 1 5 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.984 -0.151 17518
2786 1 5 . 1 1 93 93 ASN CB C 512 39.771 39.771 40.348 -0.577 17518
2787 1 5 . 1 1 93 93 ASN H H 512 7.985 7.985 8.014 -0.029 17518
2788 1 5 . 1 1 94 94 ALA N N 513 123.854 123.854 121.563 2.291 17518
2789 1 5 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.471 0.133 17518
2790 1 5 . 1 1 94 94 ALA C C 513 178.511 178.511 176.370 2.141 17518
2791 1 5 . 1 1 94 94 ALA CA C 513 52.699 52.699 52.389 0.310 17518
2792 1 5 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.204 0.204 17518
2793 1 5 . 1 1 94 94 ALA H H 513 8.442 8.442 8.237 0.205 17518
2794 1 5 . 1 1 95 95 GLY N N 514 108.880 108.880 111.874 -2.994 17518
2795 1 5 . 1 1 95 95 GLY C C 514 173.104 173.104 174.665 -1.561 17518
2796 1 5 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.796 -0.901 17518
2797 1 5 . 1 1 95 95 GLY H H 514 8.353 8.353 8.557 -0.204 17518
2798 1 5 . 1 1 96 96 THR N N 515 110.444 110.444 116.072 -5.628 17518
2799 1 5 . 1 1 96 96 THR HA H 515 4.504 4.504 4.722 -0.218 17518
2800 1 5 . 1 1 96 96 THR C C 515 173.214 173.214 174.013 -0.799 17518
2801 1 5 . 1 1 96 96 THR CA C 515 60.947 60.947 61.315 -0.367 17518
2802 1 5 . 1 1 96 96 THR CB C 515 72.111 72.111 70.670 1.441 17518
2803 1 5 . 1 1 96 96 THR H H 515 7.839 7.839 8.585 -0.746 17518
2804 1 5 . 1 1 97 97 ILE N N 516 126.770 126.770 124.811 1.959 17518
2805 1 5 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.395 -0.424 17518
2806 1 5 . 1 1 97 97 ILE C C 516 176.061 176.061 175.976 0.085 17518
2807 1 5 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.503 1.542 17518
2808 1 5 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.236 -0.494 17518
2809 1 5 . 1 1 97 97 ILE H H 516 8.733 8.733 8.648 0.085 17518
2810 1 5 . 1 1 98 98 THR N N 517 121.307 121.307 120.144 1.163 17518
2811 1 5 . 1 1 98 98 THR HA H 517 4.693 4.693 4.692 0.001 17518
2812 1 5 . 1 1 98 98 THR C C 517 173.622 173.622 173.804 -0.182 17518
2813 1 5 . 1 1 98 98 THR CA C 517 59.692 59.692 59.363 0.329 17518
2814 1 5 . 1 1 98 98 THR CB C 517 71.290 71.290 70.673 0.617 17518
2815 1 5 . 1 1 98 98 THR H H 517 9.270 9.270 9.025 0.245 17518
2816 1 5 . 1 1 99 99 SER N N 518 118.544 118.544 119.103 -0.559 17518
2817 1 5 . 1 1 99 99 SER HA H 518 4.548 4.548 4.610 -0.062 17518
2818 1 5 . 1 1 99 99 SER C C 518 175.405 175.405 174.080 1.325 17518
2819 1 5 . 1 1 99 99 SER CA C 518 59.662 59.662 57.984 1.678 17518
2820 1 5 . 1 1 99 99 SER CB C 518 63.836 63.836 62.094 1.742 17518
2821 1 5 . 1 1 99 99 SER H H 518 8.667 8.667 8.521 0.146 17518
2822 1 5 . 1 1 100 100 GLY N N 519 113.982 113.982 111.110 2.872 17518
2823 1 5 . 1 1 100 100 GLY C C 519 171.714 171.714 172.287 -0.573 17518
2824 1 5 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.429 -0.356 17518
2825 1 5 . 1 1 100 100 GLY H H 519 8.443 8.443 7.384 1.059 17518
2826 1 5 . 1 1 101 101 ALA N N 520 120.741 120.741 125.301 -4.560 17518
2827 1 5 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.640 -1.033 17518
2828 1 5 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.892 -1.429 17518
2829 1 5 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.422 -1.291 17518
2830 1 5 . 1 1 101 101 ALA H H 520 7.908 7.908 8.151 -0.243 17518
2831 1 5 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.344 -0.302 17518
2832 1 5 . 1 1 102 102 PRO C C 521 175.467 175.467 176.363 -0.896 17518
2833 1 5 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.696 0.002 17518
2834 1 5 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.245 -0.381 17518
2835 1 5 . 1 1 103 103 ALA N N 522 122.930 122.930 125.640 -2.710 17518
2836 1 5 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.434 -0.321 17518
2837 1 5 . 1 1 103 103 ALA C C 522 177.009 177.009 177.137 -0.128 17518
2838 1 5 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.772 0.184 17518
2839 1 5 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.129 1.560 17518
2840 1 5 . 1 1 103 103 ALA H H 522 7.993 7.993 8.452 -0.459 17518
2841 1 6 . 1 1 2 2 GLY C C 421 174.167 174.167 172.838 1.329 17518
2842 1 6 . 1 1 2 2 GLY CA C 421 45.259 45.259 44.857 0.402 17518
2843 1 6 . 1 1 3 3 THR N N 422 113.380 113.380 117.340 -3.960 17518
2844 1 6 . 1 1 3 3 THR HA H 422 4.348 4.348 4.986 -0.638 17518
2845 1 6 . 1 1 3 3 THR C C 422 174.773 174.773 173.644 1.129 17518
2846 1 6 . 1 1 3 3 THR CA C 422 61.357 61.357 62.205 -0.848 17518
2847 1 6 . 1 1 3 3 THR CB C 422 69.791 69.791 71.191 -1.400 17518
2848 1 6 . 1 1 3 3 THR H H 422 8.099 8.099 8.103 -0.004 17518
2849 1 6 . 1 1 4 4 GLY N N 423 113.124 113.124 114.151 -1.027 17518
2850 1 6 . 1 1 4 4 GLY C C 423 173.909 173.909 172.809 1.100 17518
2851 1 6 . 1 1 4 4 GLY CA C 423 45.058 45.058 46.372 -1.314 17518
2852 1 6 . 1 1 4 4 GLY H H 423 8.770 8.770 8.511 0.259 17518
2853 1 6 . 1 1 5 5 ASN N N 424 121.226 121.226 118.840 2.386 17518
2854 1 6 . 1 1 5 5 ASN HA H 424 4.574 4.574 5.052 -0.478 17518
2855 1 6 . 1 1 5 5 ASN C C 424 174.450 174.450 173.464 0.986 17518
2856 1 6 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.426 0.811 17518
2857 1 6 . 1 1 5 5 ASN CB C 424 38.520 38.520 42.103 -3.583 17518
2858 1 6 . 1 1 5 5 ASN H H 424 8.988 8.988 8.300 0.688 17518
2859 1 6 . 1 1 6 6 LYS N N 425 119.587 119.587 120.420 -0.833 17518
2860 1 6 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.655 0.474 17518
2861 1 6 . 1 1 6 6 LYS C C 425 176.281 176.281 174.652 1.629 17518
2862 1 6 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.085 -0.691 17518
2863 1 6 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.647 -0.199 17518
2864 1 6 . 1 1 6 6 LYS H H 425 8.354 8.354 8.375 -0.021 17518
2865 1 6 . 1 1 7 7 VAL N N 426 124.203 124.203 122.955 1.248 17518
2866 1 6 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.926 -0.464 17518
2867 1 6 . 1 1 7 7 VAL C C 426 174.564 174.564 175.383 -0.819 17518
2868 1 6 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.028 1.341 17518
2869 1 6 . 1 1 7 7 VAL CB C 426 34.432 34.432 33.197 1.235 17518
2870 1 6 . 1 1 7 7 VAL H H 426 8.774 8.774 8.963 -0.189 17518
2871 1 6 . 1 1 8 8 THR N N 427 125.363 125.363 124.555 0.808 17518
2872 1 6 . 1 1 8 8 THR HA H 427 5.326 5.326 5.285 0.041 17518
2873 1 6 . 1 1 8 8 THR C C 427 173.108 173.108 173.424 -0.316 17518
2874 1 6 . 1 1 8 8 THR CA C 427 61.752 61.752 62.191 -0.439 17518
2875 1 6 . 1 1 8 8 THR CB C 427 69.860 69.860 70.514 -0.654 17518
2876 1 6 . 1 1 8 8 THR H H 427 8.851 8.851 9.214 -0.363 17518
2877 1 6 . 1 1 9 9 ILE N N 428 127.015 127.015 126.094 0.921 17518
2878 1 6 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.723 -0.067 17518
2879 1 6 . 1 1 9 9 ILE C C 428 175.404 175.404 174.232 1.172 17518
2880 1 6 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.457 -0.577 17518
2881 1 6 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.597 1.594 17518
2882 1 6 . 1 1 9 9 ILE H H 428 8.628 8.628 9.121 -0.493 17518
2883 1 6 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.456 -0.287 17518
2884 1 6 . 1 1 10 10 TYR C C 429 174.161 174.161 174.843 -0.682 17518
2885 1 6 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.236 3.015 17518
2886 1 6 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.327 1.056 17518
2887 1 6 . 1 1 10 10 TYR H H 429 9.069 9.069 9.274 -0.205 17518
2888 1 6 . 1 1 11 11 TYR N N 430 125.905 125.905 125.807 0.098 17518
2889 1 6 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.650 -0.660 17518
2890 1 6 . 1 1 11 11 TYR C C 430 173.359 173.359 174.299 -0.940 17518
2891 1 6 . 1 1 11 11 TYR CA C 430 56.630 56.630 54.370 2.260 17518
2892 1 6 . 1 1 11 11 TYR CB C 430 42.942 42.942 41.900 1.042 17518
2893 1 6 . 1 1 11 11 TYR H H 430 9.500 9.500 8.833 0.667 17518
2894 1 6 . 1 1 12 12 LYS N N 431 131.688 131.688 125.716 5.972 17518
2895 1 6 . 1 1 12 12 LYS HA H 431 3.362 3.362 1.993 1.369 17518
2896 1 6 . 1 1 12 12 LYS C C 431 172.929 172.929 174.820 -1.891 17518
2897 1 6 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.051 0.816 17518
2898 1 6 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.355 0.816 17518
2899 1 6 . 1 1 12 12 LYS H H 431 8.410 8.410 8.105 0.305 17518
2900 1 6 . 1 1 13 13 LYS N N 432 125.124 125.124 126.304 -1.180 17518
2901 1 6 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.792 0.080 17518
2902 1 6 . 1 1 13 13 LYS C C 432 180.107 180.107 176.111 3.996 17518
2903 1 6 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.511 -4.003 17518
2904 1 6 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.232 -0.578 17518
2905 1 6 . 1 1 14 14 GLY N N 433 112.761 112.761 112.406 0.355 17518
2906 1 6 . 1 1 14 14 GLY C C 433 174.180 174.180 174.011 0.169 17518
2907 1 6 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.075 1.267 17518
2908 1 6 . 1 1 14 14 GLY H H 433 7.585 7.585 8.395 -0.810 17518
2909 1 6 . 1 1 15 15 PHE N N 434 121.529 121.529 118.421 3.108 17518
2910 1 6 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.821 -0.130 17518
2911 1 6 . 1 1 15 15 PHE C C 434 175.899 175.899 176.121 -0.222 17518
2912 1 6 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.386 -2.229 17518
2913 1 6 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.899 -2.427 17518
2914 1 6 . 1 1 15 15 PHE H H 434 8.454 8.454 8.135 0.319 17518
2915 1 6 . 1 1 16 16 ASN N N 435 117.583 117.583 115.274 2.309 17518
2916 1 6 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.677 -0.278 17518
2917 1 6 . 1 1 16 16 ASN C C 435 176.259 176.259 173.619 2.640 17518
2918 1 6 . 1 1 16 16 ASN CA C 435 56.521 56.521 53.761 2.760 17518
2919 1 6 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.586 0.781 17518
2920 1 6 . 1 1 16 16 ASN H H 435 8.513 8.513 8.264 0.249 17518
2921 1 6 . 1 1 17 17 SER N N 436 112.889 112.889 115.429 -2.540 17518
2922 1 6 . 1 1 17 17 SER HA H 436 4.798 4.798 4.955 -0.157 17518
2923 1 6 . 1 1 17 17 SER C C 436 171.151 171.151 172.056 -0.905 17518
2924 1 6 . 1 1 17 17 SER CA C 436 53.721 53.721 55.771 -2.050 17518
2925 1 6 . 1 1 17 17 SER CB C 436 63.834 63.834 63.491 0.343 17518
2926 1 6 . 1 1 17 17 SER H H 436 8.315 8.315 8.343 -0.028 17518
2927 1 6 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.763 -0.201 17518
2928 1 6 . 1 1 18 18 PRO C C 437 175.812 175.812 175.774 0.038 17518
2929 1 6 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.134 0.483 17518
2930 1 6 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.648 0.126 17518
2931 1 6 . 1 1 19 19 TYR N N 438 122.060 122.060 119.646 2.414 17518
2932 1 6 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.770 0.060 17518
2933 1 6 . 1 1 19 19 TYR C C 438 174.732 174.732 174.900 -0.168 17518
2934 1 6 . 1 1 19 19 TYR CA C 438 56.729 56.729 57.230 -0.501 17518
2935 1 6 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.088 -0.330 17518
2936 1 6 . 1 1 19 19 TYR H H 438 9.072 9.072 8.729 0.343 17518
2937 1 6 . 1 1 20 20 ILE N N 439 118.018 118.018 119.828 -1.810 17518
2938 1 6 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.884 0.104 17518
2939 1 6 . 1 1 20 20 ILE C C 439 171.341 171.341 174.364 -3.023 17518
2940 1 6 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.649 -1.076 17518
2941 1 6 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.593 0.065 17518
2942 1 6 . 1 1 20 20 ILE H H 439 9.164 9.164 8.654 0.510 17518
2943 1 6 . 1 1 21 21 HIS N N 440 133.346 133.346 130.333 3.013 17518
2944 1 6 . 1 1 21 21 HIS HA H 440 5.375 5.375 5.030 0.345 17518
2945 1 6 . 1 1 21 21 HIS C C 440 174.947 174.947 173.601 1.346 17518
2946 1 6 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.364 -0.563 17518
2947 1 6 . 1 1 21 21 HIS CB C 440 35.001 35.001 30.422 4.579 17518
2948 1 6 . 1 1 21 21 HIS H H 440 8.843 8.843 8.713 0.130 17518
2949 1 6 . 1 1 22 22 TYR N N 441 121.863 121.863 123.143 -1.280 17518
2950 1 6 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.635 0.422 17518
2951 1 6 . 1 1 22 22 TYR C C 441 173.567 173.567 173.309 0.258 17518
2952 1 6 . 1 1 22 22 TYR CA C 441 56.693 56.693 55.141 1.552 17518
2953 1 6 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.857 0.939 17518
2954 1 6 . 1 1 22 22 TYR H H 441 8.231 8.231 7.970 0.262 17518
2955 1 6 . 1 1 23 23 ARG N N 442 116.788 116.788 120.955 -4.167 17518
2956 1 6 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.762 -0.131 17518
2957 1 6 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.790 -0.430 17518
2958 1 6 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.645 -1.331 17518
2959 1 6 . 1 1 23 23 ARG H H 442 8.456 8.456 9.022 -0.566 17518
2960 1 6 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.509 -0.002 17518
2961 1 6 . 1 1 24 24 PRO C C 443 176.258 176.258 175.977 0.281 17518
2962 1 6 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.934 0.310 17518
2963 1 6 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.329 -0.132 17518
2964 1 6 . 1 1 25 25 ALA N N 444 125.666 125.666 125.815 -0.149 17518
2965 1 6 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.966 -0.008 17518
2966 1 6 . 1 1 25 25 ALA C C 444 179.221 179.221 177.605 1.616 17518
2967 1 6 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.282 0.898 17518
2968 1 6 . 1 1 25 25 ALA CB C 444 18.420 18.420 18.140 0.280 17518
2969 1 6 . 1 1 25 25 ALA H H 444 8.230 8.230 8.337 -0.107 17518
2970 1 6 . 1 1 26 26 GLY N N 445 112.217 112.217 110.054 2.163 17518
2971 1 6 . 1 1 26 26 GLY C C 445 174.734 174.734 174.402 0.332 17518
2972 1 6 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.633 1.029 17518
2973 1 6 . 1 1 26 26 GLY H H 445 8.591 8.591 7.895 0.696 17518
2974 1 6 . 1 1 27 27 GLY N N 446 109.489 109.489 109.308 0.181 17518
2975 1 6 . 1 1 27 27 GLY C C 446 173.379 173.379 172.918 0.461 17518
2976 1 6 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.252 -0.135 17518
2977 1 6 . 1 1 27 27 GLY H H 446 8.380 8.380 8.473 -0.093 17518
2978 1 6 . 1 1 28 28 SER N N 447 117.275 117.275 114.580 2.695 17518
2979 1 6 . 1 1 28 28 SER HA H 447 4.637 4.637 4.592 0.045 17518
2980 1 6 . 1 1 28 28 SER C C 447 173.759 173.759 173.153 0.606 17518
2981 1 6 . 1 1 28 28 SER CA C 447 57.410 57.410 57.164 0.246 17518
2982 1 6 . 1 1 28 28 SER CB C 447 65.022 65.022 65.334 -0.312 17518
2983 1 6 . 1 1 28 28 SER H H 447 8.585 8.585 8.249 0.336 17518
2984 1 6 . 1 1 29 29 TRP N N 448 123.426 123.426 121.727 1.699 17518
2985 1 6 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.451 -0.058 17518
2986 1 6 . 1 1 29 29 TRP C C 448 178.997 178.997 177.535 1.462 17518
2987 1 6 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.550 0.616 17518
2988 1 6 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.404 0.202 17518
2989 1 6 . 1 1 29 29 TRP H H 448 8.346 8.346 8.463 -0.117 17518
2990 1 6 . 1 1 30 30 THR N N 449 111.168 111.168 115.345 -4.177 17518
2991 1 6 . 1 1 30 30 THR HA H 449 3.978 3.978 4.356 -0.378 17518
2992 1 6 . 1 1 30 30 THR C C 449 174.707 174.707 174.002 0.705 17518
2993 1 6 . 1 1 30 30 THR CA C 449 61.317 61.317 62.034 -0.717 17518
2994 1 6 . 1 1 30 30 THR CB C 449 70.526 70.526 69.746 0.780 17518
2995 1 6 . 1 1 30 30 THR H H 449 7.888 7.888 8.319 -0.431 17518
2996 1 6 . 1 1 31 31 ALA N N 450 122.982 122.982 124.138 -1.156 17518
2997 1 6 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.271 0.128 17518
2998 1 6 . 1 1 31 31 ALA C C 450 178.443 178.443 176.535 1.908 17518
2999 1 6 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.685 0.199 17518
3000 1 6 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.158 -0.097 17518
3001 1 6 . 1 1 31 31 ALA H H 450 8.383 8.383 8.498 -0.115 17518
3002 1 6 . 1 1 32 32 ALA N N 451 129.780 129.780 126.929 2.851 17518
3003 1 6 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.154 -0.296 17518
3004 1 6 . 1 1 32 32 ALA C C 451 175.997 175.997 175.848 0.149 17518
3005 1 6 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.533 1.278 17518
3006 1 6 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.328 -2.082 17518
3007 1 6 . 1 1 32 32 ALA H H 451 8.778 8.778 7.770 1.008 17518
3008 1 6 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.479 -0.635 17518
3009 1 6 . 1 1 33 33 PRO C C 452 173.297 173.297 177.134 -3.837 17518
3010 1 6 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.496 1.236 17518
3011 1 6 . 1 1 33 33 PRO CB C 452 33.646 33.646 33.004 0.642 17518
3012 1 6 . 1 1 34 34 GLY N N 453 112.150 112.150 110.769 1.381 17518
3013 1 6 . 1 1 34 34 GLY C C 453 174.011 174.011 173.780 0.231 17518
3014 1 6 . 1 1 34 34 GLY CA C 453 43.995 43.995 45.994 -1.999 17518
3015 1 6 . 1 1 34 34 GLY H H 453 8.685 8.685 7.960 0.725 17518
3016 1 6 . 1 1 35 35 VAL N N 454 123.276 123.276 123.428 -0.152 17518
3017 1 6 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.386 -0.040 17518
3018 1 6 . 1 1 35 35 VAL C C 454 174.782 174.782 175.394 -0.612 17518
3019 1 6 . 1 1 35 35 VAL CA C 454 60.959 60.959 60.177 0.782 17518
3020 1 6 . 1 1 35 35 VAL CB C 454 34.857 34.857 35.183 -0.326 17518
3021 1 6 . 1 1 35 35 VAL H H 454 9.287 9.287 8.651 0.636 17518
3022 1 6 . 1 1 36 36 LYS N N 455 128.135 128.135 129.541 -1.406 17518
3023 1 6 . 1 1 36 36 LYS HA H 455 3.061 3.061 3.782 -0.721 17518
3024 1 6 . 1 1 36 36 LYS C C 455 176.438 176.438 176.185 0.253 17518
3025 1 6 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.751 0.472 17518
3026 1 6 . 1 1 36 36 LYS CB C 455 32.619 32.619 31.240 1.379 17518
3027 1 6 . 1 1 36 36 LYS H H 455 8.443 8.443 8.613 -0.170 17518
3028 1 6 . 1 1 37 37 MET N N 456 124.850 124.850 127.077 -2.227 17518
3029 1 6 . 1 1 37 37 MET HA H 456 4.207 4.207 4.155 0.052 17518
3030 1 6 . 1 1 37 37 MET C C 456 175.590 175.590 176.550 -0.960 17518
3031 1 6 . 1 1 37 37 MET CA C 456 56.409 56.409 57.496 -1.087 17518
3032 1 6 . 1 1 37 37 MET CB C 456 34.978 34.978 32.370 2.608 17518
3033 1 6 . 1 1 37 37 MET H H 456 8.121 8.121 8.156 -0.035 17518
3034 1 6 . 1 1 38 38 GLN N N 457 121.555 121.555 122.240 -0.685 17518
3035 1 6 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.095 0.298 17518
3036 1 6 . 1 1 38 38 GLN C C 457 175.737 175.737 175.690 0.047 17518
3037 1 6 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.481 -1.698 17518
3038 1 6 . 1 1 38 38 GLN CB C 457 30.307 30.307 29.044 1.262 17518
3039 1 6 . 1 1 38 38 GLN H H 457 8.441 8.441 8.747 -0.306 17518
3040 1 6 . 1 1 39 39 ASP N N 458 121.629 121.629 118.853 2.776 17518
3041 1 6 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.657 0.074 17518
3042 1 6 . 1 1 39 39 ASP C C 458 176.733 176.733 175.115 1.618 17518
3043 1 6 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.154 2.103 17518
3044 1 6 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.911 -0.553 17518
3045 1 6 . 1 1 39 39 ASP H H 458 8.720 8.720 8.406 0.314 17518
3046 1 6 . 1 1 40 40 ALA N N 459 122.646 122.646 124.839 -2.193 17518
3047 1 6 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.628 -0.336 17518
3048 1 6 . 1 1 40 40 ALA C C 459 175.201 175.201 177.712 -2.511 17518
3049 1 6 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.286 0.270 17518
3050 1 6 . 1 1 40 40 ALA CB C 459 21.948 21.948 20.222 1.726 17518
3051 1 6 . 1 1 40 40 ALA H H 459 8.423 8.423 8.751 -0.328 17518
3052 1 6 . 1 1 41 41 GLU N N 460 120.190 120.190 127.222 -7.032 17518
3053 1 6 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.989 0.318 17518
3054 1 6 . 1 1 41 41 GLU C C 460 174.722 174.722 178.171 -3.449 17518
3055 1 6 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.039 -0.520 17518
3056 1 6 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.317 -1.980 17518
3057 1 6 . 1 1 41 41 GLU H H 460 10.341 10.341 8.885 1.456 17518
3058 1 6 . 1 1 42 42 ILE N N 461 119.473 119.473 118.952 0.521 17518
3059 1 6 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.527 0.784 17518
3060 1 6 . 1 1 42 42 ILE C C 461 174.959 174.959 175.813 -0.854 17518
3061 1 6 . 1 1 42 42 ILE CA C 461 58.966 58.966 64.109 -5.143 17518
3062 1 6 . 1 1 42 42 ILE CB C 461 39.745 39.745 38.014 1.731 17518
3063 1 6 . 1 1 42 42 ILE H H 461 6.466 6.466 7.771 -1.305 17518
3064 1 6 . 1 1 43 43 SER N N 462 121.292 121.292 111.187 10.105 17518
3065 1 6 . 1 1 43 43 SER HA H 462 4.297 4.297 4.431 -0.134 17518
3066 1 6 . 1 1 43 43 SER C C 462 175.624 175.624 173.714 1.910 17518
3067 1 6 . 1 1 43 43 SER CA C 462 60.112 60.112 58.449 1.663 17518
3068 1 6 . 1 1 43 43 SER CB C 462 63.116 63.116 62.937 0.179 17518
3069 1 6 . 1 1 43 43 SER H H 462 8.584 8.584 7.446 1.138 17518
3070 1 6 . 1 1 44 44 GLY N N 463 111.896 111.896 107.832 4.064 17518
3071 1 6 . 1 1 44 44 GLY C C 463 173.823 173.823 172.983 0.840 17518
3072 1 6 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.585 -0.706 17518
3073 1 6 . 1 1 44 44 GLY H H 463 8.623 8.623 8.104 0.519 17518
3074 1 6 . 1 1 45 45 TYR N N 464 116.379 116.379 119.784 -3.405 17518
3075 1 6 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.723 0.975 17518
3076 1 6 . 1 1 45 45 TYR C C 464 175.693 175.693 173.311 2.382 17518
3077 1 6 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.664 -0.052 17518
3078 1 6 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.636 -0.712 17518
3079 1 6 . 1 1 45 45 TYR H H 464 7.803 7.803 8.071 -0.268 17518
3080 1 6 . 1 1 46 46 ALA N N 465 126.206 126.206 119.860 6.346 17518
3081 1 6 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.373 -0.036 17518
3082 1 6 . 1 1 46 46 ALA C C 465 176.129 176.129 175.781 0.348 17518
3083 1 6 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.799 0.657 17518
3084 1 6 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.184 2.162 17518
3085 1 6 . 1 1 46 46 ALA H H 465 9.910 9.910 9.141 0.769 17518
3086 1 6 . 1 1 47 47 LYS N N 466 120.226 120.226 119.993 0.233 17518
3087 1 6 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.449 0.223 17518
3088 1 6 . 1 1 47 47 LYS C C 466 173.880 173.880 174.694 -0.814 17518
3089 1 6 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.219 0.187 17518
3090 1 6 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.971 0.189 17518
3091 1 6 . 1 1 47 47 LYS H H 466 9.373 9.373 8.441 0.932 17518
3092 1 6 . 1 1 48 48 ILE N N 467 120.505 120.505 120.475 0.030 17518
3093 1 6 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.586 -0.183 17518
3094 1 6 . 1 1 48 48 ILE C C 467 171.247 171.247 173.249 -2.002 17518
3095 1 6 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.251 0.131 17518
3096 1 6 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.732 -0.198 17518
3097 1 6 . 1 1 48 48 ILE H H 467 8.085 8.085 8.769 -0.684 17518
3098 1 6 . 1 1 49 49 THR N N 468 122.247 122.247 124.209 -1.962 17518
3099 1 6 . 1 1 49 49 THR HA H 468 5.301 5.301 5.363 -0.062 17518
3100 1 6 . 1 1 49 49 THR C C 468 173.694 173.694 173.562 0.132 17518
3101 1 6 . 1 1 49 49 THR CA C 468 61.871 61.871 60.583 1.288 17518
3102 1 6 . 1 1 49 49 THR CB C 468 70.649 70.649 70.326 0.323 17518
3103 1 6 . 1 1 49 49 THR H H 468 7.954 7.954 8.213 -0.259 17518
3104 1 6 . 1 1 50 50 VAL N N 469 126.076 126.076 124.309 1.767 17518
3105 1 6 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.030 0.081 17518
3106 1 6 . 1 1 50 50 VAL C C 469 173.826 173.826 174.081 -0.255 17518
3107 1 6 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.677 -0.478 17518
3108 1 6 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.290 -0.241 17518
3109 1 6 . 1 1 50 50 VAL H H 469 9.242 9.242 9.034 0.208 17518
3110 1 6 . 1 1 51 51 ASP N N 470 126.346 126.346 125.514 0.832 17518
3111 1 6 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.843 0.070 17518
3112 1 6 . 1 1 51 51 ASP C C 470 177.013 177.013 176.078 0.935 17518
3113 1 6 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.124 -1.111 17518
3114 1 6 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.110 -0.191 17518
3115 1 6 . 1 1 51 51 ASP H H 470 8.476 8.476 8.503 -0.027 17518
3116 1 6 . 1 1 52 52 ILE N N 471 118.935 118.935 118.186 0.749 17518
3117 1 6 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.497 0.041 17518
3118 1 6 . 1 1 52 52 ILE C C 471 176.991 176.991 177.424 -0.433 17518
3119 1 6 . 1 1 52 52 ILE CA C 471 59.992 59.992 61.167 -1.175 17518
3120 1 6 . 1 1 52 52 ILE CB C 471 38.002 38.002 40.363 -2.361 17518
3121 1 6 . 1 1 52 52 ILE H H 471 8.728 8.728 8.290 0.438 17518
3122 1 6 . 1 1 53 53 GLY N N 472 114.498 114.498 111.984 2.514 17518
3123 1 6 . 1 1 53 53 GLY C C 472 174.971 174.971 175.524 -0.553 17518
3124 1 6 . 1 1 53 53 GLY CA C 472 47.668 47.668 47.539 0.129 17518
3125 1 6 . 1 1 53 53 GLY H H 472 9.078 9.078 7.552 1.526 17518
3126 1 6 . 1 1 54 54 SER N N 473 120.546 120.546 118.650 1.896 17518
3127 1 6 . 1 1 54 54 SER HA H 473 4.426 4.426 4.280 0.146 17518
3128 1 6 . 1 1 54 54 SER C C 473 174.975 174.975 173.547 1.428 17518
3129 1 6 . 1 1 54 54 SER CA C 473 58.417 58.417 59.163 -0.745 17518
3130 1 6 . 1 1 54 54 SER CB C 473 63.632 63.632 63.238 0.394 17518
3131 1 6 . 1 1 54 54 SER H H 473 8.808 8.808 8.209 0.599 17518
3132 1 6 . 1 1 55 55 ALA N N 474 125.402 125.402 122.036 3.366 17518
3133 1 6 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.549 -0.183 17518
3134 1 6 . 1 1 55 55 ALA C C 474 176.116 176.116 175.899 0.217 17518
3135 1 6 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.291 1.081 17518
3136 1 6 . 1 1 55 55 ALA CB C 474 20.315 20.315 20.486 -0.171 17518
3137 1 6 . 1 1 55 55 ALA H H 474 7.738 7.738 7.694 0.044 17518
3138 1 6 . 1 1 56 56 SER N N 475 110.149 110.149 116.220 -6.071 17518
3139 1 6 . 1 1 56 56 SER HA H 475 4.539 4.539 4.390 0.149 17518
3140 1 6 . 1 1 56 56 SER C C 475 173.662 173.662 173.892 -0.230 17518
3141 1 6 . 1 1 56 56 SER CA C 475 58.121 58.121 59.918 -1.797 17518
3142 1 6 . 1 1 56 56 SER CB C 475 65.000 65.000 63.916 1.084 17518
3143 1 6 . 1 1 56 56 SER H H 475 8.756 8.756 8.726 0.030 17518
3144 1 6 . 1 1 57 57 GLN N N 476 117.023 117.023 116.431 0.592 17518
3145 1 6 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.815 0.243 17518
3146 1 6 . 1 1 57 57 GLN C C 476 173.042 173.042 173.383 -0.341 17518
3147 1 6 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.072 -0.848 17518
3148 1 6 . 1 1 57 57 GLN CB C 476 33.609 33.609 34.021 -0.412 17518
3149 1 6 . 1 1 57 57 GLN H H 476 7.139 7.139 7.465 -0.326 17518
3150 1 6 . 1 1 58 58 LEU N N 477 121.156 121.156 120.903 0.253 17518
3151 1 6 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.052 -0.306 17518
3152 1 6 . 1 1 58 58 LEU C C 477 173.922 173.922 174.095 -0.173 17518
3153 1 6 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.068 -0.560 17518
3154 1 6 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.085 1.195 17518
3155 1 6 . 1 1 58 58 LEU H H 477 9.149 9.149 9.162 -0.013 17518
3156 1 6 . 1 1 59 59 GLU N N 478 126.375 126.375 125.954 0.421 17518
3157 1 6 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.301 0.055 17518
3158 1 6 . 1 1 59 59 GLU C C 478 175.481 175.481 174.895 0.586 17518
3159 1 6 . 1 1 59 59 GLU CA C 478 54.597 54.597 54.876 -0.279 17518
3160 1 6 . 1 1 59 59 GLU CB C 478 32.759 32.759 33.123 -0.364 17518
3161 1 6 . 1 1 59 59 GLU H H 478 8.558 8.558 8.946 -0.388 17518
3162 1 6 . 1 1 60 60 ALA N N 479 124.321 124.321 127.766 -3.445 17518
3163 1 6 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.929 -0.137 17518
3164 1 6 . 1 1 60 60 ALA C C 479 174.955 174.955 175.306 -0.351 17518
3165 1 6 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.917 0.224 17518
3166 1 6 . 1 1 60 60 ALA CB C 479 25.094 25.094 24.126 0.968 17518
3167 1 6 . 1 1 60 60 ALA H H 479 9.614 9.614 9.006 0.608 17518
3168 1 6 . 1 1 61 61 ALA N N 480 120.954 120.954 120.649 0.305 17518
3169 1 6 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.282 -0.488 17518
3170 1 6 . 1 1 61 61 ALA C C 480 174.782 174.782 174.947 -0.165 17518
3171 1 6 . 1 1 61 61 ALA CA C 480 51.257 51.257 50.814 0.443 17518
3172 1 6 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.795 0.419 17518
3173 1 6 . 1 1 61 61 ALA H H 480 9.346 9.346 9.325 0.021 17518
3174 1 6 . 1 1 62 62 PHE N N 481 117.021 117.021 119.712 -2.691 17518
3175 1 6 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.798 1.086 17518
3176 1 6 . 1 1 62 62 PHE C C 481 175.044 175.044 173.191 1.853 17518
3177 1 6 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.273 1.315 17518
3178 1 6 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.198 1.065 17518
3179 1 6 . 1 1 62 62 PHE H H 481 8.351 8.351 8.891 -0.540 17518
3180 1 6 . 1 1 63 63 ASN N N 482 116.362 116.362 121.637 -5.275 17518
3181 1 6 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.271 0.837 17518
3182 1 6 . 1 1 63 63 ASN C C 482 172.088 172.088 174.420 -2.332 17518
3183 1 6 . 1 1 63 63 ASN CA C 482 53.710 53.710 51.619 2.091 17518
3184 1 6 . 1 1 63 63 ASN CB C 482 41.348 41.348 40.672 0.676 17518
3185 1 6 . 1 1 63 63 ASN H H 482 9.077 9.077 8.411 0.666 17518
3186 1 6 . 1 1 64 64 ASP N N 483 118.002 118.002 120.190 -2.188 17518
3187 1 6 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.022 0.162 17518
3188 1 6 . 1 1 64 64 ASP C C 483 177.271 177.271 177.457 -0.186 17518
3189 1 6 . 1 1 64 64 ASP CA C 483 52.301 52.301 54.806 -2.505 17518
3190 1 6 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.795 1.092 17518
3191 1 6 . 1 1 64 64 ASP H H 483 7.482 7.482 8.043 -0.561 17518
3192 1 6 . 1 1 65 65 GLY N N 484 110.602 110.602 107.906 2.696 17518
3193 1 6 . 1 1 65 65 GLY C C 484 173.156 173.156 173.920 -0.764 17518
3194 1 6 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.497 0.118 17518
3195 1 6 . 1 1 65 65 GLY H H 484 8.696 8.696 7.460 1.236 17518
3196 1 6 . 1 1 66 66 ASN N N 485 120.867 120.867 119.474 1.393 17518
3197 1 6 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.592 0.112 17518
3198 1 6 . 1 1 66 66 ASN C C 485 174.442 174.442 174.841 -0.399 17518
3199 1 6 . 1 1 66 66 ASN CA C 485 52.311 52.311 54.876 -2.565 17518
3200 1 6 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.199 0.292 17518
3201 1 6 . 1 1 66 66 ASN H H 485 8.371 8.371 8.451 -0.080 17518
3202 1 6 . 1 1 67 67 ASN N N 486 113.518 113.518 114.995 -1.477 17518
3203 1 6 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.901 -0.723 17518
3204 1 6 . 1 1 67 67 ASN C C 486 173.845 173.845 173.663 0.182 17518
3205 1 6 . 1 1 67 67 ASN CA C 486 54.486 54.486 52.997 1.489 17518
3206 1 6 . 1 1 67 67 ASN CB C 486 38.267 38.267 40.989 -2.721 17518
3207 1 6 . 1 1 67 67 ASN H H 486 8.700 8.700 8.236 0.464 17518
3208 1 6 . 1 1 68 68 ASN N N 487 118.464 118.464 120.202 -1.738 17518
3209 1 6 . 1 1 68 68 ASN HA H 487 5.058 5.058 5.109 -0.051 17518
3210 1 6 . 1 1 68 68 ASN C C 487 173.449 173.449 173.417 0.032 17518
3211 1 6 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.804 0.464 17518
3212 1 6 . 1 1 68 68 ASN CB C 487 38.813 38.813 40.400 -1.587 17518
3213 1 6 . 1 1 68 68 ASN H H 487 7.975 7.975 8.608 -0.633 17518
3214 1 6 . 1 1 69 69 TRP N N 488 120.817 120.817 122.309 -1.492 17518
3215 1 6 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.868 -0.046 17518
3216 1 6 . 1 1 69 69 TRP C C 488 176.268 176.268 175.674 0.594 17518
3217 1 6 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.739 1.439 17518
3218 1 6 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.748 0.583 17518
3219 1 6 . 1 1 69 69 TRP H H 488 8.771 8.771 8.696 0.075 17518
3220 1 6 . 1 1 70 70 ASP N N 489 122.179 122.179 118.530 3.649 17518
3221 1 6 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.097 0.099 17518
3222 1 6 . 1 1 70 70 ASP C C 489 175.441 175.441 174.551 0.890 17518
3223 1 6 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.801 -1.456 17518
3224 1 6 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.486 -1.518 17518
3225 1 6 . 1 1 70 70 ASP H H 489 9.795 9.795 8.701 1.094 17518
3226 1 6 . 1 1 71 71 SER N N 490 117.314 117.314 119.594 -2.280 17518
3227 1 6 . 1 1 71 71 SER HA H 490 5.084 5.084 4.413 0.671 17518
3228 1 6 . 1 1 71 71 SER C C 490 175.277 175.277 173.815 1.462 17518
3229 1 6 . 1 1 71 71 SER CA C 490 56.099 56.099 57.107 -1.008 17518
3230 1 6 . 1 1 71 71 SER CB C 490 66.550 66.550 65.838 0.712 17518
3231 1 6 . 1 1 71 71 SER H H 490 9.238 9.238 8.337 0.901 17518
3232 1 6 . 1 1 72 72 ASN N N 491 122.911 122.911 124.183 -1.272 17518
3233 1 6 . 1 1 72 72 ASN HA H 491 4.367 4.367 4.130 0.237 17518
3234 1 6 . 1 1 72 72 ASN C C 491 176.857 176.857 175.433 1.424 17518
3235 1 6 . 1 1 72 72 ASN CA C 491 53.192 53.192 54.309 -1.117 17518
3236 1 6 . 1 1 72 72 ASN CB C 491 35.574 35.574 37.286 -1.712 17518
3237 1 6 . 1 1 72 72 ASN H H 491 8.536 8.536 6.732 1.804 17518
3238 1 6 . 1 1 73 73 ASN N N 492 116.146 116.146 114.792 1.354 17518
3239 1 6 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.467 -0.082 17518
3240 1 6 . 1 1 73 73 ASN C C 492 176.335 176.335 174.375 1.960 17518
3241 1 6 . 1 1 73 73 ASN CA C 492 54.488 54.488 55.995 -1.506 17518
3242 1 6 . 1 1 73 73 ASN CB C 492 37.331 37.331 38.011 -0.680 17518
3243 1 6 . 1 1 73 73 ASN H H 492 9.086 9.086 8.471 0.615 17518
3244 1 6 . 1 1 74 74 THR N N 493 110.420 110.420 111.887 -1.467 17518
3245 1 6 . 1 1 74 74 THR HA H 493 3.779 3.779 4.334 -0.555 17518
3246 1 6 . 1 1 74 74 THR C C 493 173.194 173.194 173.114 0.080 17518
3247 1 6 . 1 1 74 74 THR CA C 493 65.027 65.027 63.048 1.979 17518
3248 1 6 . 1 1 74 74 THR CB C 493 69.730 69.730 68.775 0.955 17518
3249 1 6 . 1 1 74 74 THR H H 493 7.782 7.782 7.932 -0.150 17518
3250 1 6 . 1 1 75 75 LYS N N 494 121.968 121.968 119.994 1.974 17518
3251 1 6 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.467 -0.400 17518
3252 1 6 . 1 1 75 75 LYS C C 494 177.470 177.470 174.672 2.798 17518
3253 1 6 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.164 1.845 17518
3254 1 6 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.721 -3.135 17518
3255 1 6 . 1 1 75 75 LYS H H 494 7.652 7.652 8.470 -0.818 17518
3256 1 6 . 1 1 76 76 ASN N N 495 108.525 108.525 115.342 -6.817 17518
3257 1 6 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.576 -0.646 17518
3258 1 6 . 1 1 76 76 ASN C C 495 172.085 172.085 173.194 -1.109 17518
3259 1 6 . 1 1 76 76 ASN CA C 495 54.413 54.413 53.187 1.226 17518
3260 1 6 . 1 1 76 76 ASN CB C 495 39.048 39.048 39.921 -0.873 17518
3261 1 6 . 1 1 76 76 ASN H H 495 8.197 8.197 7.815 0.382 17518
3262 1 6 . 1 1 77 77 TYR N N 496 118.076 118.076 120.513 -2.437 17518
3263 1 6 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.584 0.209 17518
3264 1 6 . 1 1 77 77 TYR C C 496 175.074 175.074 174.600 0.474 17518
3265 1 6 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.646 0.025 17518
3266 1 6 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.477 1.308 17518
3267 1 6 . 1 1 77 77 TYR H H 496 9.133 9.133 8.719 0.414 17518
3268 1 6 . 1 1 78 78 SER N N 497 116.400 116.400 115.505 0.895 17518
3269 1 6 . 1 1 78 78 SER HA H 497 5.345 5.345 4.565 0.780 17518
3270 1 6 . 1 1 78 78 SER C C 497 173.130 173.130 172.855 0.275 17518
3271 1 6 . 1 1 78 78 SER CA C 497 57.191 57.191 56.826 0.365 17518
3272 1 6 . 1 1 78 78 SER CB C 497 64.293 64.293 64.607 -0.314 17518
3273 1 6 . 1 1 78 78 SER H H 497 8.204 8.204 8.166 0.038 17518
3274 1 6 . 1 1 79 79 PHE N N 498 123.023 123.023 125.690 -2.667 17518
3275 1 6 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.845 -0.035 17518
3276 1 6 . 1 1 79 79 PHE C C 498 175.275 175.275 174.822 0.453 17518
3277 1 6 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.270 0.737 17518
3278 1 6 . 1 1 79 79 PHE CB C 498 42.989 42.989 42.718 0.271 17518
3279 1 6 . 1 1 79 79 PHE H H 498 9.054 9.054 9.005 0.049 17518
3280 1 6 . 1 1 80 80 SER N N 499 117.002 117.002 116.753 0.249 17518
3281 1 6 . 1 1 80 80 SER HA H 499 4.997 4.997 4.802 0.195 17518
3282 1 6 . 1 1 80 80 SER C C 499 173.356 173.356 174.918 -1.562 17518
3283 1 6 . 1 1 80 80 SER CA C 499 57.357 57.357 57.393 -0.036 17518
3284 1 6 . 1 1 80 80 SER CB C 499 65.301 65.301 64.821 0.480 17518
3285 1 6 . 1 1 80 80 SER H H 499 8.804 8.804 8.608 0.196 17518
3286 1 6 . 1 1 81 81 THR N N 500 112.529 112.529 114.075 -1.546 17518
3287 1 6 . 1 1 81 81 THR HA H 500 3.820 3.820 3.993 -0.173 17518
3288 1 6 . 1 1 81 81 THR C C 500 174.378 174.378 175.456 -1.078 17518
3289 1 6 . 1 1 81 81 THR CA C 500 64.220 64.220 63.463 0.757 17518
3290 1 6 . 1 1 81 81 THR CB C 500 69.475 69.475 69.070 0.405 17518
3291 1 6 . 1 1 81 81 THR H H 500 7.559 7.559 8.000 -0.441 17518
3292 1 6 . 1 1 82 82 GLY N N 501 112.234 112.234 113.744 -1.510 17518
3293 1 6 . 1 1 82 82 GLY C C 501 174.342 174.342 172.337 2.005 17518
3294 1 6 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.668 -0.873 17518
3295 1 6 . 1 1 82 82 GLY H H 501 8.409 8.409 8.458 -0.049 17518
3296 1 6 . 1 1 83 83 THR N N 502 120.411 120.411 118.125 2.286 17518
3297 1 6 . 1 1 83 83 THR HA H 502 5.487 5.487 5.156 0.331 17518
3298 1 6 . 1 1 83 83 THR C C 502 174.798 174.798 173.206 1.592 17518
3299 1 6 . 1 1 83 83 THR CA C 502 62.497 62.497 60.535 1.962 17518
3300 1 6 . 1 1 83 83 THR CB C 502 69.978 69.978 71.439 -1.461 17518
3301 1 6 . 1 1 83 83 THR H H 502 8.729 8.729 8.163 0.566 17518
3302 1 6 . 1 1 84 84 SER N N 503 123.023 123.023 120.916 2.107 17518
3303 1 6 . 1 1 84 84 SER HA H 503 5.409 5.409 5.213 0.196 17518
3304 1 6 . 1 1 84 84 SER C C 503 171.976 171.976 173.194 -1.218 17518
3305 1 6 . 1 1 84 84 SER CA C 503 58.675 58.675 56.666 2.010 17518
3306 1 6 . 1 1 84 84 SER CB C 503 67.607 67.607 65.988 1.619 17518
3307 1 6 . 1 1 84 84 SER H H 503 9.121 9.121 9.042 0.079 17518
3308 1 6 . 1 1 85 85 THR N N 504 118.388 118.388 118.963 -0.575 17518
3309 1 6 . 1 1 85 85 THR HA H 504 5.241 5.241 5.206 0.035 17518
3310 1 6 . 1 1 85 85 THR C C 504 172.930 172.930 172.947 -0.017 17518
3311 1 6 . 1 1 85 85 THR CA C 504 62.672 62.672 62.563 0.109 17518
3312 1 6 . 1 1 85 85 THR CB C 504 70.641 70.641 71.388 -0.746 17518
3313 1 6 . 1 1 85 85 THR H H 504 9.445 9.445 8.830 0.615 17518
3314 1 6 . 1 1 86 86 TYR N N 505 129.195 129.195 128.788 0.407 17518
3315 1 6 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.531 -0.422 17518
3316 1 6 . 1 1 86 86 TYR C C 505 173.063 173.063 173.838 -0.775 17518
3317 1 6 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.862 1.418 17518
3318 1 6 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.183 -0.523 17518
3319 1 6 . 1 1 86 86 TYR H H 505 9.858 9.858 9.663 0.195 17518
3320 1 6 . 1 1 87 87 THR N N 506 124.861 124.861 123.353 1.508 17518
3321 1 6 . 1 1 87 87 THR HA H 506 4.288 4.288 5.087 -0.799 17518
3322 1 6 . 1 1 87 87 THR C C 506 171.472 171.472 172.019 -0.547 17518
3323 1 6 . 1 1 87 87 THR CA C 506 58.917 58.917 59.297 -0.380 17518
3324 1 6 . 1 1 87 87 THR CB C 506 70.055 70.055 71.238 -1.183 17518
3325 1 6 . 1 1 87 87 THR H H 506 7.906 7.906 8.843 -0.937 17518
3326 1 6 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.745 -0.739 17518
3327 1 6 . 1 1 88 88 PRO C C 507 176.975 176.975 177.076 -0.101 17518
3328 1 6 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.526 0.472 17518
3329 1 6 . 1 1 88 88 PRO CB C 507 32.374 32.374 33.203 -0.829 17518
3330 1 6 . 1 1 89 89 GLY N N 508 108.823 108.823 109.768 -0.945 17518
3331 1 6 . 1 1 89 89 GLY C C 508 173.757 173.757 173.688 0.069 17518
3332 1 6 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.221 -0.143 17518
3333 1 6 . 1 1 89 89 GLY H H 508 8.294 8.294 8.412 -0.118 17518
3334 1 6 . 1 1 90 90 ASN N N 509 117.850 117.850 118.501 -0.651 17518
3335 1 6 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.723 -0.000 17518
3336 1 6 . 1 1 90 90 ASN C C 509 176.078 176.078 175.094 0.984 17518
3337 1 6 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.782 -0.876 17518
3338 1 6 . 1 1 90 90 ASN CB C 509 39.922 39.922 39.330 0.592 17518
3339 1 6 . 1 1 90 90 ASN H H 509 8.434 8.434 7.986 0.448 17518
3340 1 6 . 1 1 91 91 SER N N 510 114.973 114.973 117.850 -2.877 17518
3341 1 6 . 1 1 91 91 SER HA H 510 4.133 4.133 4.114 0.019 17518
3342 1 6 . 1 1 91 91 SER C C 510 174.773 174.773 175.725 -0.952 17518
3343 1 6 . 1 1 91 91 SER CA C 510 58.662 58.662 60.381 -1.719 17518
3344 1 6 . 1 1 91 91 SER CB C 510 62.209 62.209 62.548 -0.339 17518
3345 1 6 . 1 1 91 91 SER H H 510 8.819 8.819 8.753 0.066 17518
3346 1 6 . 1 1 92 92 GLY N N 511 108.552 108.552 110.474 -1.922 17518
3347 1 6 . 1 1 92 92 GLY C C 511 174.613 174.613 174.482 0.131 17518
3348 1 6 . 1 1 92 92 GLY CA C 511 45.263 45.263 46.147 -0.884 17518
3349 1 6 . 1 1 92 92 GLY H H 511 8.472 8.472 8.412 0.060 17518
3350 1 6 . 1 1 93 93 ASN N N 512 119.035 119.035 117.990 1.045 17518
3351 1 6 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.878 -0.108 17518
3352 1 6 . 1 1 93 93 ASN C C 512 174.627 174.627 173.850 0.777 17518
3353 1 6 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.528 0.305 17518
3354 1 6 . 1 1 93 93 ASN CB C 512 39.771 39.771 41.037 -1.266 17518
3355 1 6 . 1 1 93 93 ASN H H 512 7.985 7.985 7.747 0.238 17518
3356 1 6 . 1 1 94 94 ALA N N 513 123.854 123.854 122.834 1.020 17518
3357 1 6 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.565 0.039 17518
3358 1 6 . 1 1 94 94 ALA C C 513 178.511 178.511 176.898 1.613 17518
3359 1 6 . 1 1 94 94 ALA CA C 513 52.699 52.699 51.884 0.815 17518
3360 1 6 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.024 0.384 17518
3361 1 6 . 1 1 94 94 ALA H H 513 8.442 8.442 8.540 -0.098 17518
3362 1 6 . 1 1 95 95 GLY N N 514 108.880 108.880 111.773 -2.893 17518
3363 1 6 . 1 1 95 95 GLY C C 514 173.104 173.104 174.116 -1.012 17518
3364 1 6 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.650 -0.755 17518
3365 1 6 . 1 1 95 95 GLY H H 514 8.353 8.353 8.427 -0.074 17518
3366 1 6 . 1 1 96 96 THR N N 515 110.444 110.444 116.583 -6.139 17518
3367 1 6 . 1 1 96 96 THR HA H 515 4.504 4.504 4.453 0.051 17518
3368 1 6 . 1 1 96 96 THR C C 515 173.214 173.214 173.841 -0.627 17518
3369 1 6 . 1 1 96 96 THR CA C 515 60.947 60.947 61.145 -0.198 17518
3370 1 6 . 1 1 96 96 THR CB C 515 72.111 72.111 70.650 1.461 17518
3371 1 6 . 1 1 96 96 THR H H 515 7.839 7.839 8.465 -0.626 17518
3372 1 6 . 1 1 97 97 ILE N N 516 126.770 126.770 124.473 2.297 17518
3373 1 6 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.154 -0.183 17518
3374 1 6 . 1 1 97 97 ILE C C 516 176.061 176.061 175.773 0.288 17518
3375 1 6 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.688 1.357 17518
3376 1 6 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.087 -0.345 17518
3377 1 6 . 1 1 97 97 ILE H H 516 8.733 8.733 8.398 0.335 17518
3378 1 6 . 1 1 98 98 THR N N 517 121.307 121.307 119.560 1.747 17518
3379 1 6 . 1 1 98 98 THR HA H 517 4.693 4.693 4.725 -0.032 17518
3380 1 6 . 1 1 98 98 THR C C 517 173.622 173.622 173.773 -0.151 17518
3381 1 6 . 1 1 98 98 THR CA C 517 59.692 59.692 59.855 -0.163 17518
3382 1 6 . 1 1 98 98 THR CB C 517 71.290 71.290 70.697 0.593 17518
3383 1 6 . 1 1 98 98 THR H H 517 9.270 9.270 9.018 0.252 17518
3384 1 6 . 1 1 99 99 SER N N 518 118.544 118.544 119.296 -0.752 17518
3385 1 6 . 1 1 99 99 SER HA H 518 4.548 4.548 4.741 -0.193 17518
3386 1 6 . 1 1 99 99 SER C C 518 175.405 175.405 174.025 1.380 17518
3387 1 6 . 1 1 99 99 SER CA C 518 59.662 59.662 57.827 1.835 17518
3388 1 6 . 1 1 99 99 SER CB C 518 63.836 63.836 62.484 1.352 17518
3389 1 6 . 1 1 99 99 SER H H 518 8.667 8.667 8.700 -0.033 17518
3390 1 6 . 1 1 100 100 GLY N N 519 113.982 113.982 111.535 2.447 17518
3391 1 6 . 1 1 100 100 GLY C C 519 171.714 171.714 172.698 -0.984 17518
3392 1 6 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.523 -0.450 17518
3393 1 6 . 1 1 100 100 GLY H H 519 8.443 8.443 7.419 1.024 17518
3394 1 6 . 1 1 101 101 ALA N N 520 120.741 120.741 126.607 -5.866 17518
3395 1 6 . 1 1 101 101 ALA HA H 520 3.607 3.607 5.046 -1.439 17518
3396 1 6 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.388 -0.925 17518
3397 1 6 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.196 -1.065 17518
3398 1 6 . 1 1 101 101 ALA H H 520 7.908 7.908 8.311 -0.403 17518
3399 1 6 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.374 -0.332 17518
3400 1 6 . 1 1 102 102 PRO C C 521 175.467 175.467 176.333 -0.866 17518
3401 1 6 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.668 0.030 17518
3402 1 6 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.350 -0.486 17518
3403 1 6 . 1 1 103 103 ALA N N 522 122.930 122.930 125.602 -2.672 17518
3404 1 6 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.416 -0.303 17518
3405 1 6 . 1 1 103 103 ALA C C 522 177.009 177.009 177.470 -0.461 17518
3406 1 6 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.609 0.347 17518
3407 1 6 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.062 1.627 17518
3408 1 6 . 1 1 103 103 ALA H H 522 7.993 7.993 8.396 -0.403 17518
3409 1 7 . 1 1 2 2 GLY C C 421 174.167 174.167 174.918 -0.751 17518
3410 1 7 . 1 1 2 2 GLY CA C 421 45.259 45.259 45.642 -0.383 17518
3411 1 7 . 1 1 3 3 THR N N 422 113.380 113.380 115.704 -2.324 17518
3412 1 7 . 1 1 3 3 THR HA H 422 4.348 4.348 4.010 0.338 17518
3413 1 7 . 1 1 3 3 THR C C 422 174.773 174.773 175.090 -0.317 17518
3414 1 7 . 1 1 3 3 THR CA C 422 61.357 61.357 64.034 -2.676 17518
3415 1 7 . 1 1 3 3 THR CB C 422 69.791 69.791 68.965 0.827 17518
3416 1 7 . 1 1 3 3 THR H H 422 8.099 8.099 8.241 -0.142 17518
3417 1 7 . 1 1 4 4 GLY N N 423 113.124 113.124 108.314 4.810 17518
3418 1 7 . 1 1 4 4 GLY C C 423 173.909 173.909 172.675 1.234 17518
3419 1 7 . 1 1 4 4 GLY CA C 423 45.058 45.058 44.505 0.553 17518
3420 1 7 . 1 1 4 4 GLY H H 423 8.770 8.770 8.122 0.648 17518
3421 1 7 . 1 1 5 5 ASN N N 424 121.226 121.226 119.898 1.328 17518
3422 1 7 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.882 -0.308 17518
3423 1 7 . 1 1 5 5 ASN C C 424 174.450 174.450 173.422 1.028 17518
3424 1 7 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.443 0.794 17518
3425 1 7 . 1 1 5 5 ASN CB C 424 38.520 38.520 42.031 -3.511 17518
3426 1 7 . 1 1 5 5 ASN H H 424 8.988 8.988 8.384 0.604 17518
3427 1 7 . 1 1 6 6 LYS N N 425 119.587 119.587 122.347 -2.760 17518
3428 1 7 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.631 0.498 17518
3429 1 7 . 1 1 6 6 LYS C C 425 176.281 176.281 174.639 1.642 17518
3430 1 7 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.378 -0.984 17518
3431 1 7 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.700 -0.252 17518
3432 1 7 . 1 1 6 6 LYS H H 425 8.354 8.354 8.438 -0.084 17518
3433 1 7 . 1 1 7 7 VAL N N 426 124.203 124.203 126.584 -2.381 17518
3434 1 7 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.858 -0.396 17518
3435 1 7 . 1 1 7 7 VAL C C 426 174.564 174.564 174.956 -0.392 17518
3436 1 7 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.476 0.893 17518
3437 1 7 . 1 1 7 7 VAL CB C 426 34.432 34.432 33.736 0.696 17518
3438 1 7 . 1 1 7 7 VAL H H 426 8.774 8.774 9.064 -0.290 17518
3439 1 7 . 1 1 8 8 THR N N 427 125.363 125.363 124.811 0.552 17518
3440 1 7 . 1 1 8 8 THR HA H 427 5.326 5.326 5.096 0.230 17518
3441 1 7 . 1 1 8 8 THR C C 427 173.108 173.108 173.146 -0.038 17518
3442 1 7 . 1 1 8 8 THR CA C 427 61.752 61.752 62.451 -0.699 17518
3443 1 7 . 1 1 8 8 THR CB C 427 69.860 69.860 70.109 -0.249 17518
3444 1 7 . 1 1 8 8 THR H H 427 8.851 8.851 9.226 -0.375 17518
3445 1 7 . 1 1 9 9 ILE N N 428 127.015 127.015 127.325 -0.310 17518
3446 1 7 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.799 -0.143 17518
3447 1 7 . 1 1 9 9 ILE C C 428 175.404 175.404 174.389 1.015 17518
3448 1 7 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.252 -0.372 17518
3449 1 7 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.196 1.995 17518
3450 1 7 . 1 1 9 9 ILE H H 428 8.628 8.628 9.239 -0.611 17518
3451 1 7 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.420 -0.251 17518
3452 1 7 . 1 1 10 10 TYR C C 429 174.161 174.161 174.803 -0.642 17518
3453 1 7 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.256 2.995 17518
3454 1 7 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.310 1.073 17518
3455 1 7 . 1 1 10 10 TYR H H 429 9.069 9.069 9.119 -0.050 17518
3456 1 7 . 1 1 11 11 TYR N N 430 125.905 125.905 125.666 0.239 17518
3457 1 7 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.632 -0.642 17518
3458 1 7 . 1 1 11 11 TYR C C 430 173.359 173.359 174.263 -0.904 17518
3459 1 7 . 1 1 11 11 TYR CA C 430 56.630 56.630 55.247 1.383 17518
3460 1 7 . 1 1 11 11 TYR CB C 430 42.942 42.942 41.927 1.015 17518
3461 1 7 . 1 1 11 11 TYR H H 430 9.500 9.500 8.966 0.534 17518
3462 1 7 . 1 1 12 12 LYS N N 431 131.688 131.688 125.303 6.385 17518
3463 1 7 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.063 1.299 17518
3464 1 7 . 1 1 12 12 LYS C C 431 172.929 172.929 174.529 -1.600 17518
3465 1 7 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.130 0.737 17518
3466 1 7 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.268 0.903 17518
3467 1 7 . 1 1 12 12 LYS H H 431 8.410 8.410 7.708 0.702 17518
3468 1 7 . 1 1 13 13 LYS N N 432 125.124 125.124 126.141 -1.017 17518
3469 1 7 . 1 1 13 13 LYS HA H 432 3.872 3.872 4.005 -0.133 17518
3470 1 7 . 1 1 13 13 LYS C C 432 180.107 180.107 176.196 3.911 17518
3471 1 7 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.296 -3.788 17518
3472 1 7 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.300 -0.646 17518
3473 1 7 . 1 1 14 14 GLY N N 433 112.761 112.761 112.387 0.374 17518
3474 1 7 . 1 1 14 14 GLY C C 433 174.180 174.180 174.254 -0.074 17518
3475 1 7 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.167 1.175 17518
3476 1 7 . 1 1 14 14 GLY H H 433 7.585 7.585 8.534 -0.949 17518
3477 1 7 . 1 1 15 15 PHE N N 434 121.529 121.529 118.171 3.358 17518
3478 1 7 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.728 -0.037 17518
3479 1 7 . 1 1 15 15 PHE C C 434 175.899 175.899 175.934 -0.035 17518
3480 1 7 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.072 -1.915 17518
3481 1 7 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.991 -2.519 17518
3482 1 7 . 1 1 15 15 PHE H H 434 8.454 8.454 8.101 0.353 17518
3483 1 7 . 1 1 16 16 ASN N N 435 117.583 117.583 114.773 2.810 17518
3484 1 7 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.610 -0.211 17518
3485 1 7 . 1 1 16 16 ASN C C 435 176.259 176.259 173.737 2.522 17518
3486 1 7 . 1 1 16 16 ASN CA C 435 56.521 56.521 53.923 2.598 17518
3487 1 7 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.556 0.810 17518
3488 1 7 . 1 1 16 16 ASN H H 435 8.513 8.513 8.475 0.038 17518
3489 1 7 . 1 1 17 17 SER N N 436 112.889 112.889 116.244 -3.355 17518
3490 1 7 . 1 1 17 17 SER HA H 436 4.798 4.798 4.924 -0.126 17518
3491 1 7 . 1 1 17 17 SER C C 436 171.151 171.151 172.069 -0.918 17518
3492 1 7 . 1 1 17 17 SER CA C 436 53.721 53.721 54.615 -0.894 17518
3493 1 7 . 1 1 17 17 SER CB C 436 63.834 63.834 63.313 0.521 17518
3494 1 7 . 1 1 17 17 SER H H 436 8.315 8.315 8.294 0.021 17518
3495 1 7 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.678 -0.116 17518
3496 1 7 . 1 1 18 18 PRO C C 437 175.812 175.812 175.571 0.241 17518
3497 1 7 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.219 0.398 17518
3498 1 7 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.598 0.176 17518
3499 1 7 . 1 1 19 19 TYR N N 438 122.060 122.060 117.932 4.128 17518
3500 1 7 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.803 0.027 17518
3501 1 7 . 1 1 19 19 TYR C C 438 174.732 174.732 174.734 -0.002 17518
3502 1 7 . 1 1 19 19 TYR CA C 438 56.729 56.729 56.718 0.011 17518
3503 1 7 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.672 -0.914 17518
3504 1 7 . 1 1 19 19 TYR H H 438 9.072 9.072 8.792 0.280 17518
3505 1 7 . 1 1 20 20 ILE N N 439 118.018 118.018 120.107 -2.089 17518
3506 1 7 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.907 0.081 17518
3507 1 7 . 1 1 20 20 ILE C C 439 171.341 171.341 174.524 -3.183 17518
3508 1 7 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.476 -0.903 17518
3509 1 7 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.018 0.640 17518
3510 1 7 . 1 1 20 20 ILE H H 439 9.164 9.164 9.046 0.118 17518
3511 1 7 . 1 1 21 21 HIS N N 440 133.346 133.346 129.833 3.513 17518
3512 1 7 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.816 0.559 17518
3513 1 7 . 1 1 21 21 HIS C C 440 174.947 174.947 173.747 1.200 17518
3514 1 7 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.098 -0.297 17518
3515 1 7 . 1 1 21 21 HIS CB C 440 35.001 35.001 31.395 3.606 17518
3516 1 7 . 1 1 21 21 HIS H H 440 8.843 8.843 8.417 0.426 17518
3517 1 7 . 1 1 22 22 TYR N N 441 121.863 121.863 123.453 -1.590 17518
3518 1 7 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.850 0.207 17518
3519 1 7 . 1 1 22 22 TYR C C 441 173.567 173.567 173.323 0.244 17518
3520 1 7 . 1 1 22 22 TYR CA C 441 56.693 56.693 55.002 1.691 17518
3521 1 7 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.723 1.073 17518
3522 1 7 . 1 1 22 22 TYR H H 441 8.231 8.231 7.974 0.257 17518
3523 1 7 . 1 1 23 23 ARG N N 442 116.788 116.788 121.329 -4.541 17518
3524 1 7 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.956 -0.325 17518
3525 1 7 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.275 0.085 17518
3526 1 7 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.590 -1.276 17518
3527 1 7 . 1 1 23 23 ARG H H 442 8.456 8.456 9.154 -0.698 17518
3528 1 7 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.518 -0.011 17518
3529 1 7 . 1 1 24 24 PRO C C 443 176.258 176.258 175.938 0.320 17518
3530 1 7 . 1 1 24 24 PRO CA C 443 62.244 62.244 62.034 0.210 17518
3531 1 7 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.318 -0.121 17518
3532 1 7 . 1 1 25 25 ALA N N 444 125.666 125.666 125.755 -0.089 17518
3533 1 7 . 1 1 25 25 ALA HA H 444 3.958 3.958 4.014 -0.056 17518
3534 1 7 . 1 1 25 25 ALA C C 444 179.221 179.221 177.644 1.577 17518
3535 1 7 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.212 0.968 17518
3536 1 7 . 1 1 25 25 ALA CB C 444 18.420 18.420 18.214 0.206 17518
3537 1 7 . 1 1 25 25 ALA H H 444 8.230 8.230 8.225 0.005 17518
3538 1 7 . 1 1 26 26 GLY N N 445 112.217 112.217 110.186 2.031 17518
3539 1 7 . 1 1 26 26 GLY C C 445 174.734 174.734 174.353 0.381 17518
3540 1 7 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.639 1.023 17518
3541 1 7 . 1 1 26 26 GLY H H 445 8.591 8.591 7.932 0.659 17518
3542 1 7 . 1 1 27 27 GLY N N 446 109.489 109.489 109.037 0.452 17518
3543 1 7 . 1 1 27 27 GLY C C 446 173.379 173.379 173.057 0.322 17518
3544 1 7 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.194 -0.077 17518
3545 1 7 . 1 1 27 27 GLY H H 446 8.380 8.380 8.395 -0.015 17518
3546 1 7 . 1 1 28 28 SER N N 447 117.275 117.275 113.984 3.291 17518
3547 1 7 . 1 1 28 28 SER HA H 447 4.637 4.637 4.744 -0.107 17518
3548 1 7 . 1 1 28 28 SER C C 447 173.759 173.759 173.193 0.566 17518
3549 1 7 . 1 1 28 28 SER CA C 447 57.410 57.410 56.408 1.002 17518
3550 1 7 . 1 1 28 28 SER CB C 447 65.022 65.022 64.917 0.105 17518
3551 1 7 . 1 1 28 28 SER H H 447 8.585 8.585 8.217 0.368 17518
3552 1 7 . 1 1 29 29 TRP N N 448 123.426 123.426 120.139 3.287 17518
3553 1 7 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.810 -0.417 17518
3554 1 7 . 1 1 29 29 TRP C C 448 178.997 178.997 177.029 1.968 17518
3555 1 7 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.142 1.024 17518
3556 1 7 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.939 -0.333 17518
3557 1 7 . 1 1 29 29 TRP H H 448 8.346 8.346 8.384 -0.038 17518
3558 1 7 . 1 1 30 30 THR N N 449 111.168 111.168 114.541 -3.373 17518
3559 1 7 . 1 1 30 30 THR HA H 449 3.978 3.978 4.373 -0.395 17518
3560 1 7 . 1 1 30 30 THR C C 449 174.707 174.707 173.947 0.760 17518
3561 1 7 . 1 1 30 30 THR CA C 449 61.317 61.317 61.590 -0.273 17518
3562 1 7 . 1 1 30 30 THR CB C 449 70.526 70.526 69.669 0.857 17518
3563 1 7 . 1 1 30 30 THR H H 449 7.888 7.888 8.580 -0.692 17518
3564 1 7 . 1 1 31 31 ALA N N 450 122.982 122.982 123.809 -0.827 17518
3565 1 7 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.269 0.130 17518
3566 1 7 . 1 1 31 31 ALA C C 450 178.443 178.443 176.525 1.918 17518
3567 1 7 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.526 0.358 17518
3568 1 7 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.124 -0.063 17518
3569 1 7 . 1 1 31 31 ALA H H 450 8.383 8.383 8.399 -0.016 17518
3570 1 7 . 1 1 32 32 ALA N N 451 129.780 129.780 127.211 2.569 17518
3571 1 7 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.020 -0.162 17518
3572 1 7 . 1 1 32 32 ALA C C 451 175.997 175.997 175.791 0.206 17518
3573 1 7 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.528 1.283 17518
3574 1 7 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.587 -2.341 17518
3575 1 7 . 1 1 32 32 ALA H H 451 8.778 8.778 7.966 0.812 17518
3576 1 7 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.237 -0.393 17518
3577 1 7 . 1 1 33 33 PRO C C 452 173.297 173.297 176.793 -3.496 17518
3578 1 7 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.203 1.529 17518
3579 1 7 . 1 1 33 33 PRO CB C 452 33.646 33.646 31.930 1.716 17518
3580 1 7 . 1 1 34 34 GLY N N 453 112.150 112.150 111.941 0.209 17518
3581 1 7 . 1 1 34 34 GLY C C 453 174.011 174.011 173.710 0.301 17518
3582 1 7 . 1 1 34 34 GLY CA C 453 43.995 43.995 45.304 -1.309 17518
3583 1 7 . 1 1 34 34 GLY H H 453 8.685 8.685 7.327 1.358 17518
3584 1 7 . 1 1 35 35 VAL N N 454 123.276 123.276 123.190 0.086 17518
3585 1 7 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.296 0.050 17518
3586 1 7 . 1 1 35 35 VAL C C 454 174.782 174.782 174.886 -0.104 17518
3587 1 7 . 1 1 35 35 VAL CA C 454 60.959 60.959 60.224 0.735 17518
3588 1 7 . 1 1 35 35 VAL CB C 454 34.857 34.857 34.946 -0.089 17518
3589 1 7 . 1 1 35 35 VAL H H 454 9.287 9.287 8.439 0.848 17518
3590 1 7 . 1 1 36 36 LYS N N 455 128.135 128.135 129.525 -1.390 17518
3591 1 7 . 1 1 36 36 LYS HA H 455 3.061 3.061 3.792 -0.731 17518
3592 1 7 . 1 1 36 36 LYS C C 455 176.438 176.438 176.041 0.397 17518
3593 1 7 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.677 0.546 17518
3594 1 7 . 1 1 36 36 LYS CB C 455 32.619 32.619 31.356 1.263 17518
3595 1 7 . 1 1 36 36 LYS H H 455 8.443 8.443 8.572 -0.129 17518
3596 1 7 . 1 1 37 37 MET N N 456 124.850 124.850 127.712 -2.862 17518
3597 1 7 . 1 1 37 37 MET HA H 456 4.207 4.207 4.170 0.037 17518
3598 1 7 . 1 1 37 37 MET C C 456 175.590 175.590 176.341 -0.751 17518
3599 1 7 . 1 1 37 37 MET CA C 456 56.409 56.409 57.466 -1.057 17518
3600 1 7 . 1 1 37 37 MET CB C 456 34.978 34.978 32.504 2.474 17518
3601 1 7 . 1 1 37 37 MET H H 456 8.121 8.121 8.151 -0.030 17518
3602 1 7 . 1 1 38 38 GLN N N 457 121.555 121.555 121.766 -0.211 17518
3603 1 7 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.145 0.248 17518
3604 1 7 . 1 1 38 38 GLN C C 457 175.737 175.737 175.479 0.258 17518
3605 1 7 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.704 -1.921 17518
3606 1 7 . 1 1 38 38 GLN CB C 457 30.307 30.307 29.112 1.195 17518
3607 1 7 . 1 1 38 38 GLN H H 457 8.441 8.441 8.849 -0.408 17518
3608 1 7 . 1 1 39 39 ASP N N 458 121.629 121.629 117.525 4.104 17518
3609 1 7 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.705 0.026 17518
3610 1 7 . 1 1 39 39 ASP C C 458 176.733 176.733 175.046 1.687 17518
3611 1 7 . 1 1 39 39 ASP CA C 458 56.257 56.257 53.976 2.281 17518
3612 1 7 . 1 1 39 39 ASP CB C 458 40.358 40.358 41.054 -0.696 17518
3613 1 7 . 1 1 39 39 ASP H H 458 8.720 8.720 8.450 0.270 17518
3614 1 7 . 1 1 40 40 ALA N N 459 122.646 122.646 125.222 -2.576 17518
3615 1 7 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.614 -0.322 17518
3616 1 7 . 1 1 40 40 ALA C C 459 175.201 175.201 177.693 -2.492 17518
3617 1 7 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.155 0.401 17518
3618 1 7 . 1 1 40 40 ALA CB C 459 21.948 21.948 20.136 1.812 17518
3619 1 7 . 1 1 40 40 ALA H H 459 8.423 8.423 8.750 -0.327 17518
3620 1 7 . 1 1 41 41 GLU N N 460 120.190 120.190 126.258 -6.068 17518
3621 1 7 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.964 0.343 17518
3622 1 7 . 1 1 41 41 GLU C C 460 174.722 174.722 177.729 -3.007 17518
3623 1 7 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.132 -0.613 17518
3624 1 7 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.207 -1.871 17518
3625 1 7 . 1 1 41 41 GLU H H 460 10.341 10.341 8.880 1.461 17518
3626 1 7 . 1 1 42 42 ILE N N 461 119.473 119.473 119.553 -0.080 17518
3627 1 7 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.641 0.670 17518
3628 1 7 . 1 1 42 42 ILE C C 461 174.959 174.959 176.727 -1.768 17518
3629 1 7 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.232 -4.266 17518
3630 1 7 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.272 2.473 17518
3631 1 7 . 1 1 42 42 ILE H H 461 6.466 6.466 7.844 -1.378 17518
3632 1 7 . 1 1 43 43 SER N N 462 121.292 121.292 111.557 9.735 17518
3633 1 7 . 1 1 43 43 SER HA H 462 4.297 4.297 4.457 -0.160 17518
3634 1 7 . 1 1 43 43 SER C C 462 175.624 175.624 173.206 2.418 17518
3635 1 7 . 1 1 43 43 SER CA C 462 60.112 60.112 58.162 1.950 17518
3636 1 7 . 1 1 43 43 SER CB C 462 63.116 63.116 63.096 0.020 17518
3637 1 7 . 1 1 43 43 SER H H 462 8.584 8.584 7.657 0.927 17518
3638 1 7 . 1 1 44 44 GLY N N 463 111.896 111.896 107.629 4.267 17518
3639 1 7 . 1 1 44 44 GLY C C 463 173.823 173.823 173.284 0.539 17518
3640 1 7 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.370 -0.491 17518
3641 1 7 . 1 1 44 44 GLY H H 463 8.623 8.623 7.897 0.726 17518
3642 1 7 . 1 1 45 45 TYR N N 464 116.379 116.379 119.856 -3.477 17518
3643 1 7 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.753 0.945 17518
3644 1 7 . 1 1 45 45 TYR C C 464 175.693 175.693 173.300 2.393 17518
3645 1 7 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.634 -0.022 17518
3646 1 7 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.570 -0.646 17518
3647 1 7 . 1 1 45 45 TYR H H 464 7.803 7.803 8.140 -0.337 17518
3648 1 7 . 1 1 46 46 ALA N N 465 126.206 126.206 120.052 6.154 17518
3649 1 7 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.346 -0.009 17518
3650 1 7 . 1 1 46 46 ALA C C 465 176.129 176.129 175.823 0.306 17518
3651 1 7 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.817 0.639 17518
3652 1 7 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.086 2.260 17518
3653 1 7 . 1 1 46 46 ALA H H 465 9.910 9.910 9.198 0.712 17518
3654 1 7 . 1 1 47 47 LYS N N 466 120.226 120.226 120.531 -0.305 17518
3655 1 7 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.211 0.461 17518
3656 1 7 . 1 1 47 47 LYS C C 466 173.880 173.880 174.689 -0.809 17518
3657 1 7 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.211 0.195 17518
3658 1 7 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.720 0.440 17518
3659 1 7 . 1 1 47 47 LYS H H 466 9.373 9.373 8.334 1.039 17518
3660 1 7 . 1 1 48 48 ILE N N 467 120.505 120.505 121.935 -1.430 17518
3661 1 7 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.515 -0.112 17518
3662 1 7 . 1 1 48 48 ILE C C 467 171.247 171.247 173.215 -1.968 17518
3663 1 7 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.191 0.192 17518
3664 1 7 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.584 -0.050 17518
3665 1 7 . 1 1 48 48 ILE H H 467 8.085 8.085 8.860 -0.775 17518
3666 1 7 . 1 1 49 49 THR N N 468 122.247 122.247 124.535 -2.288 17518
3667 1 7 . 1 1 49 49 THR HA H 468 5.301 5.301 5.368 -0.067 17518
3668 1 7 . 1 1 49 49 THR C C 468 173.694 173.694 173.839 -0.145 17518
3669 1 7 . 1 1 49 49 THR CA C 468 61.871 61.871 60.670 1.201 17518
3670 1 7 . 1 1 49 49 THR CB C 468 70.649 70.649 70.375 0.274 17518
3671 1 7 . 1 1 49 49 THR H H 468 7.954 7.954 8.350 -0.396 17518
3672 1 7 . 1 1 50 50 VAL N N 469 126.076 126.076 124.631 1.445 17518
3673 1 7 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.031 0.080 17518
3674 1 7 . 1 1 50 50 VAL C C 469 173.826 173.826 173.913 -0.087 17518
3675 1 7 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.665 -0.466 17518
3676 1 7 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.632 -0.583 17518
3677 1 7 . 1 1 50 50 VAL H H 469 9.242 9.242 8.946 0.296 17518
3678 1 7 . 1 1 51 51 ASP N N 470 126.346 126.346 124.601 1.745 17518
3679 1 7 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.923 -0.010 17518
3680 1 7 . 1 1 51 51 ASP C C 470 177.013 177.013 176.325 0.688 17518
3681 1 7 . 1 1 51 51 ASP CA C 470 53.014 53.014 53.480 -0.466 17518
3682 1 7 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.332 -0.413 17518
3683 1 7 . 1 1 51 51 ASP H H 470 8.476 8.476 8.486 -0.010 17518
3684 1 7 . 1 1 52 52 ILE N N 471 118.935 118.935 116.245 2.690 17518
3685 1 7 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.551 -0.013 17518
3686 1 7 . 1 1 52 52 ILE C C 471 176.991 176.991 176.435 0.556 17518
3687 1 7 . 1 1 52 52 ILE CA C 471 59.992 59.992 59.906 0.086 17518
3688 1 7 . 1 1 52 52 ILE CB C 471 38.002 38.002 39.885 -1.883 17518
3689 1 7 . 1 1 52 52 ILE H H 471 8.728 8.728 8.143 0.585 17518
3690 1 7 . 1 1 53 53 GLY N N 472 114.498 114.498 109.906 4.592 17518
3691 1 7 . 1 1 53 53 GLY C C 472 174.971 174.971 174.621 0.350 17518
3692 1 7 . 1 1 53 53 GLY CA C 472 47.668 47.668 46.807 0.861 17518
3693 1 7 . 1 1 53 53 GLY H H 472 9.078 9.078 8.611 0.467 17518
3694 1 7 . 1 1 54 54 SER N N 473 120.546 120.546 118.969 1.577 17518
3695 1 7 . 1 1 54 54 SER HA H 473 4.426 4.426 4.048 0.378 17518
3696 1 7 . 1 1 54 54 SER C C 473 174.975 174.975 173.323 1.652 17518
3697 1 7 . 1 1 54 54 SER CA C 473 58.417 58.417 59.200 -0.783 17518
3698 1 7 . 1 1 54 54 SER CB C 473 63.632 63.632 63.278 0.354 17518
3699 1 7 . 1 1 54 54 SER H H 473 8.808 8.808 8.417 0.391 17518
3700 1 7 . 1 1 55 55 ALA N N 474 125.402 125.402 123.234 2.168 17518
3701 1 7 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.697 -0.331 17518
3702 1 7 . 1 1 55 55 ALA C C 474 176.116 176.116 176.669 -0.553 17518
3703 1 7 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.272 1.100 17518
3704 1 7 . 1 1 55 55 ALA CB C 474 20.315 20.315 20.200 0.115 17518
3705 1 7 . 1 1 55 55 ALA H H 474 7.738 7.738 8.007 -0.269 17518
3706 1 7 . 1 1 56 56 SER N N 475 110.149 110.149 116.675 -6.526 17518
3707 1 7 . 1 1 56 56 SER HA H 475 4.539 4.539 4.453 0.086 17518
3708 1 7 . 1 1 56 56 SER C C 475 173.662 173.662 173.862 -0.200 17518
3709 1 7 . 1 1 56 56 SER CA C 475 58.121 58.121 59.643 -1.522 17518
3710 1 7 . 1 1 56 56 SER CB C 475 65.000 65.000 63.974 1.026 17518
3711 1 7 . 1 1 56 56 SER H H 475 8.756 8.756 8.754 0.002 17518
3712 1 7 . 1 1 57 57 GLN N N 476 117.023 117.023 115.924 1.099 17518
3713 1 7 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.728 0.330 17518
3714 1 7 . 1 1 57 57 GLN C C 476 173.042 173.042 173.368 -0.326 17518
3715 1 7 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.277 -1.053 17518
3716 1 7 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.725 -0.116 17518
3717 1 7 . 1 1 57 57 GLN H H 476 7.139 7.139 7.509 -0.370 17518
3718 1 7 . 1 1 58 58 LEU N N 477 121.156 121.156 120.857 0.299 17518
3719 1 7 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.089 -0.343 17518
3720 1 7 . 1 1 58 58 LEU C C 477 173.922 173.922 174.339 -0.417 17518
3721 1 7 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.349 -0.841 17518
3722 1 7 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.702 0.578 17518
3723 1 7 . 1 1 58 58 LEU H H 477 9.149 9.149 9.321 -0.172 17518
3724 1 7 . 1 1 59 59 GLU N N 478 126.375 126.375 123.924 2.451 17518
3725 1 7 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.467 -0.111 17518
3726 1 7 . 1 1 59 59 GLU C C 478 175.481 175.481 175.508 -0.027 17518
3727 1 7 . 1 1 59 59 GLU CA C 478 54.597 54.597 55.586 -0.989 17518
3728 1 7 . 1 1 59 59 GLU CB C 478 32.759 32.759 33.083 -0.324 17518
3729 1 7 . 1 1 59 59 GLU H H 478 8.558 8.558 9.202 -0.644 17518
3730 1 7 . 1 1 60 60 ALA N N 479 124.321 124.321 125.601 -1.280 17518
3731 1 7 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.785 0.007 17518
3732 1 7 . 1 1 60 60 ALA C C 479 174.955 174.955 175.427 -0.472 17518
3733 1 7 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.779 0.362 17518
3734 1 7 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.502 1.592 17518
3735 1 7 . 1 1 60 60 ALA H H 479 9.614 9.614 9.243 0.371 17518
3736 1 7 . 1 1 61 61 ALA N N 480 120.954 120.954 121.995 -1.041 17518
3737 1 7 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.117 -0.323 17518
3738 1 7 . 1 1 61 61 ALA C C 480 174.782 174.782 175.039 -0.257 17518
3739 1 7 . 1 1 61 61 ALA CA C 480 51.257 51.257 51.140 0.117 17518
3740 1 7 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.598 0.616 17518
3741 1 7 . 1 1 61 61 ALA H H 480 9.346 9.346 8.654 0.692 17518
3742 1 7 . 1 1 62 62 PHE N N 481 117.021 117.021 122.299 -5.278 17518
3743 1 7 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.852 1.032 17518
3744 1 7 . 1 1 62 62 PHE C C 481 175.044 175.044 173.210 1.834 17518
3745 1 7 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.231 1.357 17518
3746 1 7 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.435 0.828 17518
3747 1 7 . 1 1 62 62 PHE H H 481 8.351 8.351 8.902 -0.551 17518
3748 1 7 . 1 1 63 63 ASN N N 482 116.362 116.362 122.194 -5.832 17518
3749 1 7 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.440 0.668 17518
3750 1 7 . 1 1 63 63 ASN C C 482 172.088 172.088 174.092 -2.004 17518
3751 1 7 . 1 1 63 63 ASN CA C 482 53.710 53.710 52.132 1.578 17518
3752 1 7 . 1 1 63 63 ASN CB C 482 41.348 41.348 42.031 -0.683 17518
3753 1 7 . 1 1 63 63 ASN H H 482 9.077 9.077 8.402 0.675 17518
3754 1 7 . 1 1 64 64 ASP N N 483 118.002 118.002 119.718 -1.716 17518
3755 1 7 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.112 0.073 17518
3756 1 7 . 1 1 64 64 ASP C C 483 177.271 177.271 177.392 -0.121 17518
3757 1 7 . 1 1 64 64 ASP CA C 483 52.301 52.301 53.745 -1.444 17518
3758 1 7 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.930 0.957 17518
3759 1 7 . 1 1 64 64 ASP H H 483 7.482 7.482 8.308 -0.826 17518
3760 1 7 . 1 1 65 65 GLY N N 484 110.602 110.602 108.623 1.979 17518
3761 1 7 . 1 1 65 65 GLY C C 484 173.156 173.156 173.905 -0.749 17518
3762 1 7 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.455 0.160 17518
3763 1 7 . 1 1 65 65 GLY H H 484 8.696 8.696 7.715 0.981 17518
3764 1 7 . 1 1 66 66 ASN N N 485 120.867 120.867 119.230 1.637 17518
3765 1 7 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.597 0.107 17518
3766 1 7 . 1 1 66 66 ASN C C 485 174.442 174.442 174.727 -0.285 17518
3767 1 7 . 1 1 66 66 ASN CA C 485 52.311 52.311 54.716 -2.405 17518
3768 1 7 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.182 0.309 17518
3769 1 7 . 1 1 66 66 ASN H H 485 8.371 8.371 8.429 -0.058 17518
3770 1 7 . 1 1 67 67 ASN N N 486 113.518 113.518 115.503 -1.985 17518
3771 1 7 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.874 -0.696 17518
3772 1 7 . 1 1 67 67 ASN C C 486 173.845 173.845 173.611 0.234 17518
3773 1 7 . 1 1 67 67 ASN CA C 486 54.486 54.486 52.933 1.553 17518
3774 1 7 . 1 1 67 67 ASN CB C 486 38.267 38.267 40.978 -2.711 17518
3775 1 7 . 1 1 67 67 ASN H H 486 8.700 8.700 8.373 0.327 17518
3776 1 7 . 1 1 68 68 ASN N N 487 118.464 118.464 120.029 -1.565 17518
3777 1 7 . 1 1 68 68 ASN HA H 487 5.058 5.058 5.134 -0.076 17518
3778 1 7 . 1 1 68 68 ASN C C 487 173.449 173.449 173.538 -0.089 17518
3779 1 7 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.824 0.444 17518
3780 1 7 . 1 1 68 68 ASN CB C 487 38.813 38.813 40.597 -1.784 17518
3781 1 7 . 1 1 68 68 ASN H H 487 7.975 7.975 8.684 -0.709 17518
3782 1 7 . 1 1 69 69 TRP N N 488 120.817 120.817 122.158 -1.341 17518
3783 1 7 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.986 -0.164 17518
3784 1 7 . 1 1 69 69 TRP C C 488 176.268 176.268 175.530 0.738 17518
3785 1 7 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.508 1.670 17518
3786 1 7 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.802 0.529 17518
3787 1 7 . 1 1 69 69 TRP H H 488 8.771 8.771 8.668 0.103 17518
3788 1 7 . 1 1 70 70 ASP N N 489 122.179 122.179 118.819 3.360 17518
3789 1 7 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.015 0.181 17518
3790 1 7 . 1 1 70 70 ASP C C 489 175.441 175.441 174.354 1.087 17518
3791 1 7 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.620 -1.274 17518
3792 1 7 . 1 1 70 70 ASP CB C 489 41.968 41.968 44.002 -2.034 17518
3793 1 7 . 1 1 70 70 ASP H H 489 9.795 9.795 8.787 1.008 17518
3794 1 7 . 1 1 71 71 SER N N 490 117.314 117.314 118.443 -1.129 17518
3795 1 7 . 1 1 71 71 SER HA H 490 5.084 5.084 4.796 0.288 17518
3796 1 7 . 1 1 71 71 SER C C 490 175.277 175.277 174.316 0.961 17518
3797 1 7 . 1 1 71 71 SER CA C 490 56.099 56.099 57.117 -1.018 17518
3798 1 7 . 1 1 71 71 SER CB C 490 66.550 66.550 65.259 1.291 17518
3799 1 7 . 1 1 71 71 SER H H 490 9.238 9.238 8.357 0.881 17518
3800 1 7 . 1 1 72 72 ASN N N 491 122.911 122.911 125.248 -2.337 17518
3801 1 7 . 1 1 72 72 ASN HA H 491 4.367 4.367 3.608 0.759 17518
3802 1 7 . 1 1 72 72 ASN C C 491 176.857 176.857 175.047 1.810 17518
3803 1 7 . 1 1 72 72 ASN CA C 491 53.192 53.192 54.148 -0.956 17518
3804 1 7 . 1 1 72 72 ASN CB C 491 35.574 35.574 37.855 -2.281 17518
3805 1 7 . 1 1 72 72 ASN H H 491 8.536 8.536 7.246 1.290 17518
3806 1 7 . 1 1 73 73 ASN N N 492 116.146 116.146 115.233 0.913 17518
3807 1 7 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.471 -0.086 17518
3808 1 7 . 1 1 73 73 ASN C C 492 176.335 176.335 174.368 1.967 17518
3809 1 7 . 1 1 73 73 ASN CA C 492 54.488 54.488 55.676 -1.188 17518
3810 1 7 . 1 1 73 73 ASN CB C 492 37.331 37.331 37.719 -0.388 17518
3811 1 7 . 1 1 73 73 ASN H H 492 9.086 9.086 8.524 0.562 17518
3812 1 7 . 1 1 74 74 THR N N 493 110.420 110.420 112.062 -1.642 17518
3813 1 7 . 1 1 74 74 THR HA H 493 3.779 3.779 4.349 -0.570 17518
3814 1 7 . 1 1 74 74 THR C C 493 173.194 173.194 172.751 0.443 17518
3815 1 7 . 1 1 74 74 THR CA C 493 65.027 65.027 62.831 2.196 17518
3816 1 7 . 1 1 74 74 THR CB C 493 69.730 69.730 68.285 1.445 17518
3817 1 7 . 1 1 74 74 THR H H 493 7.782 7.782 8.342 -0.560 17518
3818 1 7 . 1 1 75 75 LYS N N 494 121.968 121.968 120.005 1.963 17518
3819 1 7 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.469 -0.402 17518
3820 1 7 . 1 1 75 75 LYS C C 494 177.470 177.470 174.805 2.665 17518
3821 1 7 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.394 1.615 17518
3822 1 7 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.955 -3.369 17518
3823 1 7 . 1 1 75 75 LYS H H 494 7.652 7.652 8.613 -0.961 17518
3824 1 7 . 1 1 76 76 ASN N N 495 108.525 108.525 115.491 -6.966 17518
3825 1 7 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.717 -0.787 17518
3826 1 7 . 1 1 76 76 ASN C C 495 172.085 172.085 173.479 -1.394 17518
3827 1 7 . 1 1 76 76 ASN CA C 495 54.413 54.413 53.316 1.097 17518
3828 1 7 . 1 1 76 76 ASN CB C 495 39.048 39.048 39.802 -0.754 17518
3829 1 7 . 1 1 76 76 ASN H H 495 8.197 8.197 7.719 0.478 17518
3830 1 7 . 1 1 77 77 TYR N N 496 118.076 118.076 122.146 -4.070 17518
3831 1 7 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.699 0.094 17518
3832 1 7 . 1 1 77 77 TYR C C 496 175.074 175.074 175.772 -0.698 17518
3833 1 7 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.934 -0.263 17518
3834 1 7 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.863 0.922 17518
3835 1 7 . 1 1 77 77 TYR H H 496 9.133 9.133 9.115 0.018 17518
3836 1 7 . 1 1 78 78 SER N N 497 116.400 116.400 115.553 0.847 17518
3837 1 7 . 1 1 78 78 SER HA H 497 5.345 5.345 5.085 0.260 17518
3838 1 7 . 1 1 78 78 SER C C 497 173.130 173.130 172.932 0.198 17518
3839 1 7 . 1 1 78 78 SER CA C 497 57.191 57.191 56.876 0.315 17518
3840 1 7 . 1 1 78 78 SER CB C 497 64.293 64.293 64.386 -0.093 17518
3841 1 7 . 1 1 78 78 SER H H 497 8.204 8.204 8.199 0.005 17518
3842 1 7 . 1 1 79 79 PHE N N 498 123.023 123.023 125.020 -1.997 17518
3843 1 7 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.883 -0.073 17518
3844 1 7 . 1 1 79 79 PHE C C 498 175.275 175.275 174.230 1.045 17518
3845 1 7 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.397 0.610 17518
3846 1 7 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.102 -0.113 17518
3847 1 7 . 1 1 79 79 PHE H H 498 9.054 9.054 9.521 -0.467 17518
3848 1 7 . 1 1 80 80 SER N N 499 117.002 117.002 116.867 0.135 17518
3849 1 7 . 1 1 80 80 SER HA H 499 4.997 4.997 4.907 0.090 17518
3850 1 7 . 1 1 80 80 SER C C 499 173.356 173.356 175.165 -1.809 17518
3851 1 7 . 1 1 80 80 SER CA C 499 57.357 57.357 57.294 0.063 17518
3852 1 7 . 1 1 80 80 SER CB C 499 65.301 65.301 64.310 0.991 17518
3853 1 7 . 1 1 80 80 SER H H 499 8.804 8.804 8.711 0.093 17518
3854 1 7 . 1 1 81 81 THR N N 500 112.529 112.529 114.301 -1.772 17518
3855 1 7 . 1 1 81 81 THR HA H 500 3.820 3.820 3.855 -0.035 17518
3856 1 7 . 1 1 81 81 THR C C 500 174.378 174.378 175.084 -0.706 17518
3857 1 7 . 1 1 81 81 THR CA C 500 64.220 64.220 63.345 0.875 17518
3858 1 7 . 1 1 81 81 THR CB C 500 69.475 69.475 68.955 0.520 17518
3859 1 7 . 1 1 81 81 THR H H 500 7.559 7.559 8.351 -0.792 17518
3860 1 7 . 1 1 82 82 GLY N N 501 112.234 112.234 113.634 -1.400 17518
3861 1 7 . 1 1 82 82 GLY C C 501 174.342 174.342 172.227 2.115 17518
3862 1 7 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.671 -0.876 17518
3863 1 7 . 1 1 82 82 GLY H H 501 8.409 8.409 8.539 -0.130 17518
3864 1 7 . 1 1 83 83 THR N N 502 120.411 120.411 118.044 2.367 17518
3865 1 7 . 1 1 83 83 THR HA H 502 5.487 5.487 5.210 0.277 17518
3866 1 7 . 1 1 83 83 THR C C 502 174.798 174.798 173.360 1.438 17518
3867 1 7 . 1 1 83 83 THR CA C 502 62.497 62.497 60.557 1.940 17518
3868 1 7 . 1 1 83 83 THR CB C 502 69.978 69.978 71.332 -1.354 17518
3869 1 7 . 1 1 83 83 THR H H 502 8.729 8.729 8.201 0.528 17518
3870 1 7 . 1 1 84 84 SER N N 503 123.023 123.023 121.464 1.559 17518
3871 1 7 . 1 1 84 84 SER HA H 503 5.409 5.409 5.355 0.054 17518
3872 1 7 . 1 1 84 84 SER C C 503 171.976 171.976 173.263 -1.287 17518
3873 1 7 . 1 1 84 84 SER CA C 503 58.675 58.675 56.537 2.138 17518
3874 1 7 . 1 1 84 84 SER CB C 503 67.607 67.607 66.184 1.423 17518
3875 1 7 . 1 1 84 84 SER H H 503 9.121 9.121 9.182 -0.061 17518
3876 1 7 . 1 1 85 85 THR N N 504 118.388 118.388 119.190 -0.802 17518
3877 1 7 . 1 1 85 85 THR HA H 504 5.241 5.241 5.178 0.063 17518
3878 1 7 . 1 1 85 85 THR C C 504 172.930 172.930 173.075 -0.145 17518
3879 1 7 . 1 1 85 85 THR CA C 504 62.672 62.672 62.593 0.079 17518
3880 1 7 . 1 1 85 85 THR CB C 504 70.641 70.641 71.289 -0.648 17518
3881 1 7 . 1 1 85 85 THR H H 504 9.445 9.445 8.989 0.456 17518
3882 1 7 . 1 1 86 86 TYR N N 505 129.195 129.195 129.085 0.110 17518
3883 1 7 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.627 -0.518 17518
3884 1 7 . 1 1 86 86 TYR C C 505 173.063 173.063 173.713 -0.650 17518
3885 1 7 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.917 1.363 17518
3886 1 7 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.228 -0.569 17518
3887 1 7 . 1 1 86 86 TYR H H 505 9.858 9.858 9.767 0.091 17518
3888 1 7 . 1 1 87 87 THR N N 506 124.861 124.861 123.122 1.739 17518
3889 1 7 . 1 1 87 87 THR HA H 506 4.288 4.288 4.924 -0.636 17518
3890 1 7 . 1 1 87 87 THR C C 506 171.472 171.472 171.946 -0.474 17518
3891 1 7 . 1 1 87 87 THR CA C 506 58.917 58.917 59.158 -0.241 17518
3892 1 7 . 1 1 87 87 THR CB C 506 70.055 70.055 71.179 -1.124 17518
3893 1 7 . 1 1 87 87 THR H H 506 7.906 7.906 8.804 -0.898 17518
3894 1 7 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.710 -0.704 17518
3895 1 7 . 1 1 88 88 PRO C C 507 176.975 176.975 176.657 0.318 17518
3896 1 7 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.444 0.554 17518
3897 1 7 . 1 1 88 88 PRO CB C 507 32.374 32.374 33.066 -0.691 17518
3898 1 7 . 1 1 89 89 GLY N N 508 108.823 108.823 109.359 -0.536 17518
3899 1 7 . 1 1 89 89 GLY C C 508 173.757 173.757 173.470 0.287 17518
3900 1 7 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.250 -0.172 17518
3901 1 7 . 1 1 89 89 GLY H H 508 8.294 8.294 8.392 -0.098 17518
3902 1 7 . 1 1 90 90 ASN N N 509 117.850 117.850 118.093 -0.243 17518
3903 1 7 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.720 0.003 17518
3904 1 7 . 1 1 90 90 ASN C C 509 176.078 176.078 175.111 0.967 17518
3905 1 7 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.598 -0.692 17518
3906 1 7 . 1 1 90 90 ASN CB C 509 39.922 39.922 39.503 0.419 17518
3907 1 7 . 1 1 90 90 ASN H H 509 8.434 8.434 7.968 0.466 17518
3908 1 7 . 1 1 91 91 SER N N 510 114.973 114.973 117.784 -2.811 17518
3909 1 7 . 1 1 91 91 SER HA H 510 4.133 4.133 4.107 0.026 17518
3910 1 7 . 1 1 91 91 SER C C 510 174.773 174.773 175.610 -0.837 17518
3911 1 7 . 1 1 91 91 SER CA C 510 58.662 58.662 60.605 -1.942 17518
3912 1 7 . 1 1 91 91 SER CB C 510 62.209 62.209 62.873 -0.664 17518
3913 1 7 . 1 1 91 91 SER H H 510 8.819 8.819 8.756 0.063 17518
3914 1 7 . 1 1 92 92 GLY N N 511 108.552 108.552 110.701 -2.149 17518
3915 1 7 . 1 1 92 92 GLY C C 511 174.613 174.613 173.859 0.754 17518
3916 1 7 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.728 -0.465 17518
3917 1 7 . 1 1 92 92 GLY H H 511 8.472 8.472 8.527 -0.055 17518
3918 1 7 . 1 1 93 93 ASN N N 512 119.035 119.035 118.559 0.476 17518
3919 1 7 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.878 -0.108 17518
3920 1 7 . 1 1 93 93 ASN C C 512 174.627 174.627 173.727 0.900 17518
3921 1 7 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.522 0.311 17518
3922 1 7 . 1 1 93 93 ASN CB C 512 39.771 39.771 41.329 -1.558 17518
3923 1 7 . 1 1 93 93 ASN H H 512 7.985 7.985 7.287 0.698 17518
3924 1 7 . 1 1 94 94 ALA N N 513 123.854 123.854 122.867 0.987 17518
3925 1 7 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.568 0.036 17518
3926 1 7 . 1 1 94 94 ALA C C 513 178.511 178.511 176.993 1.518 17518
3927 1 7 . 1 1 94 94 ALA CA C 513 52.699 52.699 52.014 0.685 17518
3928 1 7 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.085 0.323 17518
3929 1 7 . 1 1 94 94 ALA H H 513 8.442 8.442 8.408 0.034 17518
3930 1 7 . 1 1 95 95 GLY N N 514 108.880 108.880 111.954 -3.074 17518
3931 1 7 . 1 1 95 95 GLY C C 514 173.104 173.104 174.341 -1.237 17518
3932 1 7 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.600 -0.705 17518
3933 1 7 . 1 1 95 95 GLY H H 514 8.353 8.353 8.457 -0.104 17518
3934 1 7 . 1 1 96 96 THR N N 515 110.444 110.444 116.474 -6.030 17518
3935 1 7 . 1 1 96 96 THR HA H 515 4.504 4.504 4.477 0.027 17518
3936 1 7 . 1 1 96 96 THR C C 515 173.214 173.214 173.651 -0.437 17518
3937 1 7 . 1 1 96 96 THR CA C 515 60.947 60.947 61.220 -0.273 17518
3938 1 7 . 1 1 96 96 THR CB C 515 72.111 72.111 70.596 1.515 17518
3939 1 7 . 1 1 96 96 THR H H 515 7.839 7.839 8.505 -0.666 17518
3940 1 7 . 1 1 97 97 ILE N N 516 126.770 126.770 124.530 2.240 17518
3941 1 7 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.228 -0.257 17518
3942 1 7 . 1 1 97 97 ILE C C 516 176.061 176.061 175.730 0.331 17518
3943 1 7 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.406 1.639 17518
3944 1 7 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.395 -0.653 17518
3945 1 7 . 1 1 97 97 ILE H H 516 8.733 8.733 8.404 0.329 17518
3946 1 7 . 1 1 98 98 THR N N 517 121.307 121.307 121.396 -0.089 17518
3947 1 7 . 1 1 98 98 THR HA H 517 4.693 4.693 4.689 0.004 17518
3948 1 7 . 1 1 98 98 THR C C 517 173.622 173.622 173.721 -0.099 17518
3949 1 7 . 1 1 98 98 THR CA C 517 59.692 59.692 59.773 -0.081 17518
3950 1 7 . 1 1 98 98 THR CB C 517 71.290 71.290 70.693 0.597 17518
3951 1 7 . 1 1 98 98 THR H H 517 9.270 9.270 8.985 0.285 17518
3952 1 7 . 1 1 99 99 SER N N 518 118.544 118.544 119.447 -0.903 17518
3953 1 7 . 1 1 99 99 SER HA H 518 4.548 4.548 4.770 -0.222 17518
3954 1 7 . 1 1 99 99 SER C C 518 175.405 175.405 174.042 1.363 17518
3955 1 7 . 1 1 99 99 SER CA C 518 59.662 59.662 57.713 1.949 17518
3956 1 7 . 1 1 99 99 SER CB C 518 63.836 63.836 62.672 1.164 17518
3957 1 7 . 1 1 99 99 SER H H 518 8.667 8.667 8.633 0.034 17518
3958 1 7 . 1 1 100 100 GLY N N 519 113.982 113.982 111.401 2.581 17518
3959 1 7 . 1 1 100 100 GLY C C 519 171.714 171.714 172.497 -0.783 17518
3960 1 7 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.564 -0.491 17518
3961 1 7 . 1 1 100 100 GLY H H 519 8.443 8.443 7.466 0.977 17518
3962 1 7 . 1 1 101 101 ALA N N 520 120.741 120.741 125.311 -4.570 17518
3963 1 7 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.783 -1.176 17518
3964 1 7 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.508 -1.045 17518
3965 1 7 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.448 -1.317 17518
3966 1 7 . 1 1 101 101 ALA H H 520 7.908 7.908 8.250 -0.342 17518
3967 1 7 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.401 -0.359 17518
3968 1 7 . 1 1 102 102 PRO C C 521 175.467 175.467 176.712 -1.245 17518
3969 1 7 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.902 -0.204 17518
3970 1 7 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.400 -0.536 17518
3971 1 7 . 1 1 103 103 ALA N N 522 122.930 122.930 123.314 -0.384 17518
3972 1 7 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.036 0.077 17518
3973 1 7 . 1 1 103 103 ALA C C 522 177.009 177.009 177.473 -0.464 17518
3974 1 7 . 1 1 103 103 ALA CA C 522 51.956 51.956 52.791 -0.835 17518
3975 1 7 . 1 1 103 103 ALA CB C 522 19.689 19.689 17.783 1.906 17518
3976 1 7 . 1 1 103 103 ALA H H 522 7.993 7.993 8.507 -0.514 17518
3977 1 8 . 1 1 2 2 GLY C C 421 174.167 174.167 173.643 0.524 17518
3978 1 8 . 1 1 2 2 GLY CA C 421 45.259 45.259 45.331 -0.072 17518
3979 1 8 . 1 1 3 3 THR N N 422 113.380 113.380 115.161 -1.781 17518
3980 1 8 . 1 1 3 3 THR HA H 422 4.348 4.348 4.274 0.074 17518
3981 1 8 . 1 1 3 3 THR C C 422 174.773 174.773 173.044 1.729 17518
3982 1 8 . 1 1 3 3 THR CA C 422 61.357 61.357 62.526 -1.169 17518
3983 1 8 . 1 1 3 3 THR CB C 422 69.791 69.791 69.711 0.080 17518
3984 1 8 . 1 1 3 3 THR H H 422 8.099 8.099 8.411 -0.312 17518
3985 1 8 . 1 1 4 4 GLY N N 423 113.124 113.124 110.297 2.827 17518
3986 1 8 . 1 1 4 4 GLY C C 423 173.909 173.909 173.069 0.840 17518
3987 1 8 . 1 1 4 4 GLY CA C 423 45.058 45.058 45.028 0.030 17518
3988 1 8 . 1 1 4 4 GLY H H 423 8.770 8.770 8.148 0.622 17518
3989 1 8 . 1 1 5 5 ASN N N 424 121.226 121.226 119.750 1.476 17518
3990 1 8 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.759 -0.185 17518
3991 1 8 . 1 1 5 5 ASN C C 424 174.450 174.450 173.495 0.955 17518
3992 1 8 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.173 1.064 17518
3993 1 8 . 1 1 5 5 ASN CB C 424 38.520 38.520 41.835 -3.315 17518
3994 1 8 . 1 1 5 5 ASN H H 424 8.988 8.988 8.320 0.668 17518
3995 1 8 . 1 1 6 6 LYS N N 425 119.587 119.587 121.804 -2.217 17518
3996 1 8 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.650 0.479 17518
3997 1 8 . 1 1 6 6 LYS C C 425 176.281 176.281 174.622 1.659 17518
3998 1 8 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.064 -0.670 17518
3999 1 8 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.809 -0.361 17518
4000 1 8 . 1 1 6 6 LYS H H 425 8.354 8.354 8.425 -0.071 17518
4001 1 8 . 1 1 7 7 VAL N N 426 124.203 124.203 126.436 -2.233 17518
4002 1 8 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.904 -0.442 17518
4003 1 8 . 1 1 7 7 VAL C C 426 174.564 174.564 174.695 -0.131 17518
4004 1 8 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.728 0.641 17518
4005 1 8 . 1 1 7 7 VAL CB C 426 34.432 34.432 33.889 0.543 17518
4006 1 8 . 1 1 7 7 VAL H H 426 8.774 8.774 8.915 -0.141 17518
4007 1 8 . 1 1 8 8 THR N N 427 125.363 125.363 124.148 1.215 17518
4008 1 8 . 1 1 8 8 THR HA H 427 5.326 5.326 5.150 0.176 17518
4009 1 8 . 1 1 8 8 THR C C 427 173.108 173.108 173.318 -0.210 17518
4010 1 8 . 1 1 8 8 THR CA C 427 61.752 61.752 61.600 0.152 17518
4011 1 8 . 1 1 8 8 THR CB C 427 69.860 69.860 69.998 -0.138 17518
4012 1 8 . 1 1 8 8 THR H H 427 8.851 8.851 9.156 -0.305 17518
4013 1 8 . 1 1 9 9 ILE N N 428 127.015 127.015 126.429 0.586 17518
4014 1 8 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.752 -0.096 17518
4015 1 8 . 1 1 9 9 ILE C C 428 175.404 175.404 174.139 1.265 17518
4016 1 8 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.397 -0.517 17518
4017 1 8 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.669 1.522 17518
4018 1 8 . 1 1 9 9 ILE H H 428 8.628 8.628 9.092 -0.464 17518
4019 1 8 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.429 -0.260 17518
4020 1 8 . 1 1 10 10 TYR C C 429 174.161 174.161 174.948 -0.787 17518
4021 1 8 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.173 3.078 17518
4022 1 8 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.111 1.272 17518
4023 1 8 . 1 1 10 10 TYR H H 429 9.069 9.069 9.180 -0.111 17518
4024 1 8 . 1 1 11 11 TYR N N 430 125.905 125.905 125.878 0.027 17518
4025 1 8 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.646 -0.656 17518
4026 1 8 . 1 1 11 11 TYR C C 430 173.359 173.359 174.093 -0.734 17518
4027 1 8 . 1 1 11 11 TYR CA C 430 56.630 56.630 55.000 1.630 17518
4028 1 8 . 1 1 11 11 TYR CB C 430 42.942 42.942 42.042 0.900 17518
4029 1 8 . 1 1 11 11 TYR H H 430 9.500 9.500 9.051 0.449 17518
4030 1 8 . 1 1 12 12 LYS N N 431 131.688 131.688 125.944 5.744 17518
4031 1 8 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.310 1.052 17518
4032 1 8 . 1 1 12 12 LYS C C 431 172.929 172.929 174.545 -1.616 17518
4033 1 8 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.316 0.550 17518
4034 1 8 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.250 0.921 17518
4035 1 8 . 1 1 12 12 LYS H H 431 8.410 8.410 7.843 0.567 17518
4036 1 8 . 1 1 13 13 LYS N N 432 125.124 125.124 125.315 -0.191 17518
4037 1 8 . 1 1 13 13 LYS HA H 432 3.872 3.872 4.023 -0.151 17518
4038 1 8 . 1 1 13 13 LYS C C 432 180.107 180.107 176.035 4.072 17518
4039 1 8 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.026 -3.518 17518
4040 1 8 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.484 -0.830 17518
4041 1 8 . 1 1 14 14 GLY N N 433 112.761 112.761 112.339 0.422 17518
4042 1 8 . 1 1 14 14 GLY C C 433 174.180 174.180 174.134 0.046 17518
4043 1 8 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.160 1.182 17518
4044 1 8 . 1 1 14 14 GLY H H 433 7.585 7.585 8.663 -1.078 17518
4045 1 8 . 1 1 15 15 PHE N N 434 121.529 121.529 118.551 2.978 17518
4046 1 8 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.550 0.141 17518
4047 1 8 . 1 1 15 15 PHE C C 434 175.899 175.899 175.213 0.686 17518
4048 1 8 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.318 -2.161 17518
4049 1 8 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.039 -1.567 17518
4050 1 8 . 1 1 15 15 PHE H H 434 8.454 8.454 7.921 0.533 17518
4051 1 8 . 1 1 16 16 ASN N N 435 117.583 117.583 116.061 1.522 17518
4052 1 8 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.635 -0.236 17518
4053 1 8 . 1 1 16 16 ASN C C 435 176.259 176.259 173.900 2.359 17518
4054 1 8 . 1 1 16 16 ASN CA C 435 56.521 56.521 53.980 2.541 17518
4055 1 8 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.598 0.768 17518
4056 1 8 . 1 1 16 16 ASN H H 435 8.513 8.513 8.606 -0.093 17518
4057 1 8 . 1 1 17 17 SER N N 436 112.889 112.889 115.487 -2.598 17518
4058 1 8 . 1 1 17 17 SER HA H 436 4.798 4.798 4.929 -0.131 17518
4059 1 8 . 1 1 17 17 SER C C 436 171.151 171.151 172.025 -0.874 17518
4060 1 8 . 1 1 17 17 SER CA C 436 53.721 53.721 55.957 -2.236 17518
4061 1 8 . 1 1 17 17 SER CB C 436 63.834 63.834 64.132 -0.298 17518
4062 1 8 . 1 1 17 17 SER H H 436 8.315 8.315 8.361 -0.046 17518
4063 1 8 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.322 0.240 17518
4064 1 8 . 1 1 18 18 PRO C C 437 175.812 175.812 175.522 0.290 17518
4065 1 8 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.224 0.393 17518
4066 1 8 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.477 0.297 17518
4067 1 8 . 1 1 19 19 TYR N N 438 122.060 122.060 119.851 2.209 17518
4068 1 8 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.582 0.248 17518
4069 1 8 . 1 1 19 19 TYR C C 438 174.732 174.732 174.806 -0.074 17518
4070 1 8 . 1 1 19 19 TYR CA C 438 56.729 56.729 57.701 -0.972 17518
4071 1 8 . 1 1 19 19 TYR CB C 438 40.758 40.758 40.482 0.276 17518
4072 1 8 . 1 1 19 19 TYR H H 438 9.072 9.072 8.456 0.616 17518
4073 1 8 . 1 1 20 20 ILE N N 439 118.018 118.018 120.069 -2.051 17518
4074 1 8 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.741 0.247 17518
4075 1 8 . 1 1 20 20 ILE C C 439 171.341 171.341 174.140 -2.799 17518
4076 1 8 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.455 -0.882 17518
4077 1 8 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.720 -0.062 17518
4078 1 8 . 1 1 20 20 ILE H H 439 9.164 9.164 8.553 0.611 17518
4079 1 8 . 1 1 21 21 HIS N N 440 133.346 133.346 130.272 3.074 17518
4080 1 8 . 1 1 21 21 HIS HA H 440 5.375 5.375 5.032 0.343 17518
4081 1 8 . 1 1 21 21 HIS C C 440 174.947 174.947 174.106 0.841 17518
4082 1 8 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.691 -0.890 17518
4083 1 8 . 1 1 21 21 HIS CB C 440 35.001 35.001 31.456 3.545 17518
4084 1 8 . 1 1 21 21 HIS H H 440 8.843 8.843 8.625 0.218 17518
4085 1 8 . 1 1 22 22 TYR N N 441 121.863 121.863 123.102 -1.239 17518
4086 1 8 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.717 0.340 17518
4087 1 8 . 1 1 22 22 TYR C C 441 173.567 173.567 172.909 0.658 17518
4088 1 8 . 1 1 22 22 TYR CA C 441 56.693 56.693 54.893 1.800 17518
4089 1 8 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.924 0.872 17518
4090 1 8 . 1 1 22 22 TYR H H 441 8.231 8.231 7.657 0.574 17518
4091 1 8 . 1 1 23 23 ARG N N 442 116.788 116.788 118.860 -2.072 17518
4092 1 8 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.705 -0.074 17518
4093 1 8 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.915 -0.555 17518
4094 1 8 . 1 1 23 23 ARG CB C 442 32.314 32.314 32.144 0.170 17518
4095 1 8 . 1 1 23 23 ARG H H 442 8.456 8.456 8.947 -0.491 17518
4096 1 8 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.486 0.021 17518
4097 1 8 . 1 1 24 24 PRO C C 443 176.258 176.258 176.201 0.057 17518
4098 1 8 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.711 0.533 17518
4099 1 8 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.279 -0.082 17518
4100 1 8 . 1 1 25 25 ALA N N 444 125.666 125.666 127.144 -1.478 17518
4101 1 8 . 1 1 25 25 ALA HA H 444 3.958 3.958 4.008 -0.050 17518
4102 1 8 . 1 1 25 25 ALA C C 444 179.221 179.221 178.508 0.713 17518
4103 1 8 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.690 0.490 17518
4104 1 8 . 1 1 25 25 ALA CB C 444 18.420 18.420 19.117 -0.697 17518
4105 1 8 . 1 1 25 25 ALA H H 444 8.230 8.230 8.047 0.183 17518
4106 1 8 . 1 1 26 26 GLY N N 445 112.217 112.217 109.469 2.748 17518
4107 1 8 . 1 1 26 26 GLY C C 445 174.734 174.734 174.635 0.099 17518
4108 1 8 . 1 1 26 26 GLY CA C 445 45.662 45.662 45.604 0.058 17518
4109 1 8 . 1 1 26 26 GLY H H 445 8.591 8.591 8.560 0.031 17518
4110 1 8 . 1 1 27 27 GLY N N 446 109.489 109.489 108.760 0.729 17518
4111 1 8 . 1 1 27 27 GLY C C 446 173.379 173.379 173.018 0.361 17518
4112 1 8 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.599 -0.482 17518
4113 1 8 . 1 1 27 27 GLY H H 446 8.380 8.380 8.279 0.101 17518
4114 1 8 . 1 1 28 28 SER N N 447 117.275 117.275 114.441 2.834 17518
4115 1 8 . 1 1 28 28 SER HA H 447 4.637 4.637 4.607 0.030 17518
4116 1 8 . 1 1 28 28 SER C C 447 173.759 173.759 172.794 0.965 17518
4117 1 8 . 1 1 28 28 SER CA C 447 57.410 57.410 57.577 -0.167 17518
4118 1 8 . 1 1 28 28 SER CB C 447 65.022 65.022 65.792 -0.770 17518
4119 1 8 . 1 1 28 28 SER H H 447 8.585 8.585 8.162 0.423 17518
4120 1 8 . 1 1 29 29 TRP N N 448 123.426 123.426 122.864 0.562 17518
4121 1 8 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.410 -0.017 17518
4122 1 8 . 1 1 29 29 TRP C C 448 178.997 178.997 177.431 1.566 17518
4123 1 8 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.951 0.215 17518
4124 1 8 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.261 0.345 17518
4125 1 8 . 1 1 29 29 TRP H H 448 8.346 8.346 8.607 -0.261 17518
4126 1 8 . 1 1 30 30 THR N N 449 111.168 111.168 112.446 -1.278 17518
4127 1 8 . 1 1 30 30 THR HA H 449 3.978 3.978 4.228 -0.250 17518
4128 1 8 . 1 1 30 30 THR C C 449 174.707 174.707 174.384 0.323 17518
4129 1 8 . 1 1 30 30 THR CA C 449 61.317 61.317 60.463 0.854 17518
4130 1 8 . 1 1 30 30 THR CB C 449 70.526 70.526 69.313 1.213 17518
4131 1 8 . 1 1 30 30 THR H H 449 7.888 7.888 7.656 0.232 17518
4132 1 8 . 1 1 31 31 ALA N N 450 122.982 122.982 123.938 -0.956 17518
4133 1 8 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.435 -0.036 17518
4134 1 8 . 1 1 31 31 ALA C C 450 178.443 178.443 177.327 1.116 17518
4135 1 8 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.296 0.588 17518
4136 1 8 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.331 -0.270 17518
4137 1 8 . 1 1 31 31 ALA H H 450 8.383 8.383 8.327 0.056 17518
4138 1 8 . 1 1 32 32 ALA N N 451 129.780 129.780 128.488 1.292 17518
4139 1 8 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.359 -0.501 17518
4140 1 8 . 1 1 32 32 ALA C C 451 175.997 175.997 175.893 0.104 17518
4141 1 8 . 1 1 32 32 ALA CA C 451 51.811 51.811 51.154 0.657 17518
4142 1 8 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.153 -1.907 17518
4143 1 8 . 1 1 32 32 ALA H H 451 8.778 8.778 8.359 0.419 17518
4144 1 8 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.444 -0.600 17518
4145 1 8 . 1 1 33 33 PRO C C 452 173.297 173.297 176.817 -3.520 17518
4146 1 8 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.246 1.486 17518
4147 1 8 . 1 1 33 33 PRO CB C 452 33.646 33.646 33.326 0.320 17518
4148 1 8 . 1 1 34 34 GLY N N 453 112.150 112.150 110.308 1.842 17518
4149 1 8 . 1 1 34 34 GLY C C 453 174.011 174.011 174.193 -0.182 17518
4150 1 8 . 1 1 34 34 GLY CA C 453 43.995 43.995 45.968 -1.973 17518
4151 1 8 . 1 1 34 34 GLY H H 453 8.685 8.685 8.354 0.331 17518
4152 1 8 . 1 1 35 35 VAL N N 454 123.276 123.276 120.876 2.400 17518
4153 1 8 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.368 -0.022 17518
4154 1 8 . 1 1 35 35 VAL C C 454 174.782 174.782 174.921 -0.139 17518
4155 1 8 . 1 1 35 35 VAL CA C 454 60.959 60.959 60.218 0.741 17518
4156 1 8 . 1 1 35 35 VAL CB C 454 34.857 34.857 35.934 -1.077 17518
4157 1 8 . 1 1 35 35 VAL H H 454 9.287 9.287 8.206 1.081 17518
4158 1 8 . 1 1 36 36 LYS N N 455 128.135 128.135 128.952 -0.817 17518
4159 1 8 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.306 -1.245 17518
4160 1 8 . 1 1 36 36 LYS C C 455 176.438 176.438 176.361 0.077 17518
4161 1 8 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.214 1.009 17518
4162 1 8 . 1 1 36 36 LYS CB C 455 32.619 32.619 32.099 0.520 17518
4163 1 8 . 1 1 36 36 LYS H H 455 8.443 8.443 8.479 -0.036 17518
4164 1 8 . 1 1 37 37 MET N N 456 124.850 124.850 127.371 -2.521 17518
4165 1 8 . 1 1 37 37 MET HA H 456 4.207 4.207 4.120 0.087 17518
4166 1 8 . 1 1 37 37 MET C C 456 175.590 175.590 176.599 -1.009 17518
4167 1 8 . 1 1 37 37 MET CA C 456 56.409 56.409 57.632 -1.223 17518
4168 1 8 . 1 1 37 37 MET CB C 456 34.978 34.978 31.665 3.313 17518
4169 1 8 . 1 1 37 37 MET H H 456 8.121 8.121 8.328 -0.207 17518
4170 1 8 . 1 1 38 38 GLN N N 457 121.555 121.555 122.178 -0.623 17518
4171 1 8 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.079 0.314 17518
4172 1 8 . 1 1 38 38 GLN C C 457 175.737 175.737 175.853 -0.116 17518
4173 1 8 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.136 -1.353 17518
4174 1 8 . 1 1 38 38 GLN CB C 457 30.307 30.307 28.828 1.479 17518
4175 1 8 . 1 1 38 38 GLN H H 457 8.441 8.441 8.564 -0.123 17518
4176 1 8 . 1 1 39 39 ASP N N 458 121.629 121.629 118.824 2.805 17518
4177 1 8 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.678 0.053 17518
4178 1 8 . 1 1 39 39 ASP C C 458 176.733 176.733 175.336 1.397 17518
4179 1 8 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.189 2.068 17518
4180 1 8 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.785 -0.427 17518
4181 1 8 . 1 1 39 39 ASP H H 458 8.720 8.720 8.429 0.291 17518
4182 1 8 . 1 1 40 40 ALA N N 459 122.646 122.646 125.401 -2.755 17518
4183 1 8 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.652 -0.360 17518
4184 1 8 . 1 1 40 40 ALA C C 459 175.201 175.201 177.759 -2.558 17518
4185 1 8 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.208 0.348 17518
4186 1 8 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.884 2.064 17518
4187 1 8 . 1 1 40 40 ALA H H 459 8.423 8.423 8.820 -0.397 17518
4188 1 8 . 1 1 41 41 GLU N N 460 120.190 120.190 126.247 -6.057 17518
4189 1 8 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.922 0.385 17518
4190 1 8 . 1 1 41 41 GLU C C 460 174.722 174.722 177.725 -3.003 17518
4191 1 8 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.337 -0.818 17518
4192 1 8 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.135 -1.799 17518
4193 1 8 . 1 1 41 41 GLU H H 460 10.341 10.341 8.873 1.468 17518
4194 1 8 . 1 1 42 42 ILE N N 461 119.473 119.473 118.733 0.740 17518
4195 1 8 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.649 0.662 17518
4196 1 8 . 1 1 42 42 ILE C C 461 174.959 174.959 176.371 -1.412 17518
4197 1 8 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.297 -4.331 17518
4198 1 8 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.067 2.678 17518
4199 1 8 . 1 1 42 42 ILE H H 461 6.466 6.466 7.716 -1.250 17518
4200 1 8 . 1 1 43 43 SER N N 462 121.292 121.292 111.526 9.766 17518
4201 1 8 . 1 1 43 43 SER HA H 462 4.297 4.297 4.459 -0.162 17518
4202 1 8 . 1 1 43 43 SER C C 462 175.624 175.624 173.869 1.755 17518
4203 1 8 . 1 1 43 43 SER CA C 462 60.112 60.112 58.375 1.737 17518
4204 1 8 . 1 1 43 43 SER CB C 462 63.116 63.116 63.269 -0.153 17518
4205 1 8 . 1 1 43 43 SER H H 462 8.584 8.584 7.597 0.987 17518
4206 1 8 . 1 1 44 44 GLY N N 463 111.896 111.896 107.805 4.091 17518
4207 1 8 . 1 1 44 44 GLY C C 463 173.823 173.823 172.856 0.967 17518
4208 1 8 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.379 -0.500 17518
4209 1 8 . 1 1 44 44 GLY H H 463 8.623 8.623 7.978 0.645 17518
4210 1 8 . 1 1 45 45 TYR N N 464 116.379 116.379 119.856 -3.477 17518
4211 1 8 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.728 0.970 17518
4212 1 8 . 1 1 45 45 TYR C C 464 175.693 175.693 173.281 2.412 17518
4213 1 8 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.748 -0.136 17518
4214 1 8 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.545 -0.621 17518
4215 1 8 . 1 1 45 45 TYR H H 464 7.803 7.803 8.095 -0.292 17518
4216 1 8 . 1 1 46 46 ALA N N 465 126.206 126.206 120.107 6.099 17518
4217 1 8 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.447 -0.110 17518
4218 1 8 . 1 1 46 46 ALA C C 465 176.129 176.129 175.830 0.299 17518
4219 1 8 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.801 0.655 17518
4220 1 8 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.158 2.188 17518
4221 1 8 . 1 1 46 46 ALA H H 465 9.910 9.910 9.222 0.688 17518
4222 1 8 . 1 1 47 47 LYS N N 466 120.226 120.226 120.716 -0.490 17518
4223 1 8 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.287 0.385 17518
4224 1 8 . 1 1 47 47 LYS C C 466 173.880 173.880 174.764 -0.884 17518
4225 1 8 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.261 0.145 17518
4226 1 8 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.560 0.600 17518
4227 1 8 . 1 1 47 47 LYS H H 466 9.373 9.373 8.290 1.083 17518
4228 1 8 . 1 1 48 48 ILE N N 467 120.505 120.505 120.831 -0.326 17518
4229 1 8 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.495 -0.092 17518
4230 1 8 . 1 1 48 48 ILE C C 467 171.247 171.247 173.142 -1.895 17518
4231 1 8 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.293 0.089 17518
4232 1 8 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.827 -0.292 17518
4233 1 8 . 1 1 48 48 ILE H H 467 8.085 8.085 8.758 -0.673 17518
4234 1 8 . 1 1 49 49 THR N N 468 122.247 122.247 124.745 -2.498 17518
4235 1 8 . 1 1 49 49 THR HA H 468 5.301 5.301 5.247 0.054 17518
4236 1 8 . 1 1 49 49 THR C C 468 173.694 173.694 173.781 -0.087 17518
4237 1 8 . 1 1 49 49 THR CA C 468 61.871 61.871 60.573 1.298 17518
4238 1 8 . 1 1 49 49 THR CB C 468 70.649 70.649 69.756 0.893 17518
4239 1 8 . 1 1 49 49 THR H H 468 7.954 7.954 8.198 -0.244 17518
4240 1 8 . 1 1 50 50 VAL N N 469 126.076 126.076 125.172 0.904 17518
4241 1 8 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.067 0.044 17518
4242 1 8 . 1 1 50 50 VAL C C 469 173.826 173.826 174.024 -0.198 17518
4243 1 8 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.722 -0.523 17518
4244 1 8 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.470 -0.421 17518
4245 1 8 . 1 1 50 50 VAL H H 469 9.242 9.242 8.892 0.350 17518
4246 1 8 . 1 1 51 51 ASP N N 470 126.346 126.346 124.998 1.348 17518
4247 1 8 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.842 0.071 17518
4248 1 8 . 1 1 51 51 ASP C C 470 177.013 177.013 176.007 1.006 17518
4249 1 8 . 1 1 51 51 ASP CA C 470 53.014 53.014 53.891 -0.877 17518
4250 1 8 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.175 -0.256 17518
4251 1 8 . 1 1 51 51 ASP H H 470 8.476 8.476 8.441 0.035 17518
4252 1 8 . 1 1 52 52 ILE N N 471 118.935 118.935 117.901 1.034 17518
4253 1 8 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.459 0.079 17518
4254 1 8 . 1 1 52 52 ILE C C 471 176.991 176.991 177.456 -0.465 17518
4255 1 8 . 1 1 52 52 ILE CA C 471 59.992 59.992 61.131 -1.139 17518
4256 1 8 . 1 1 52 52 ILE CB C 471 38.002 38.002 40.175 -2.173 17518
4257 1 8 . 1 1 52 52 ILE H H 471 8.728 8.728 8.249 0.479 17518
4258 1 8 . 1 1 53 53 GLY N N 472 114.498 114.498 111.827 2.671 17518
4259 1 8 . 1 1 53 53 GLY C C 472 174.971 174.971 175.542 -0.571 17518
4260 1 8 . 1 1 53 53 GLY CA C 472 47.668 47.668 47.539 0.129 17518
4261 1 8 . 1 1 53 53 GLY H H 472 9.078 9.078 7.539 1.539 17518
4262 1 8 . 1 1 54 54 SER N N 473 120.546 120.546 118.857 1.689 17518
4263 1 8 . 1 1 54 54 SER HA H 473 4.426 4.426 4.277 0.149 17518
4264 1 8 . 1 1 54 54 SER C C 473 174.975 174.975 173.606 1.369 17518
4265 1 8 . 1 1 54 54 SER CA C 473 58.417 58.417 59.228 -0.811 17518
4266 1 8 . 1 1 54 54 SER CB C 473 63.632 63.632 63.250 0.382 17518
4267 1 8 . 1 1 54 54 SER H H 473 8.808 8.808 8.185 0.623 17518
4268 1 8 . 1 1 55 55 ALA N N 474 125.402 125.402 122.534 2.868 17518
4269 1 8 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.470 -0.104 17518
4270 1 8 . 1 1 55 55 ALA C C 474 176.116 176.116 176.184 -0.068 17518
4271 1 8 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.387 0.985 17518
4272 1 8 . 1 1 55 55 ALA CB C 474 20.315 20.315 20.109 0.206 17518
4273 1 8 . 1 1 55 55 ALA H H 474 7.738 7.738 7.863 -0.125 17518
4274 1 8 . 1 1 56 56 SER N N 475 110.149 110.149 116.005 -5.856 17518
4275 1 8 . 1 1 56 56 SER HA H 475 4.539 4.539 4.343 0.196 17518
4276 1 8 . 1 1 56 56 SER C C 475 173.662 173.662 174.108 -0.446 17518
4277 1 8 . 1 1 56 56 SER CA C 475 58.121 58.121 59.701 -1.580 17518
4278 1 8 . 1 1 56 56 SER CB C 475 65.000 65.000 63.914 1.086 17518
4279 1 8 . 1 1 56 56 SER H H 475 8.756 8.756 8.700 0.056 17518
4280 1 8 . 1 1 57 57 GLN N N 476 117.023 117.023 115.996 1.027 17518
4281 1 8 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.721 0.337 17518
4282 1 8 . 1 1 57 57 GLN C C 476 173.042 173.042 173.382 -0.340 17518
4283 1 8 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.094 -0.870 17518
4284 1 8 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.649 -0.040 17518
4285 1 8 . 1 1 57 57 GLN H H 476 7.139 7.139 7.377 -0.238 17518
4286 1 8 . 1 1 58 58 LEU N N 477 121.156 121.156 121.653 -0.497 17518
4287 1 8 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.020 -0.274 17518
4288 1 8 . 1 1 58 58 LEU C C 477 173.922 173.922 174.151 -0.229 17518
4289 1 8 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.351 -0.843 17518
4290 1 8 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.334 0.946 17518
4291 1 8 . 1 1 58 58 LEU H H 477 9.149 9.149 9.292 -0.143 17518
4292 1 8 . 1 1 59 59 GLU N N 478 126.375 126.375 124.590 1.785 17518
4293 1 8 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.199 0.157 17518
4294 1 8 . 1 1 59 59 GLU C C 478 175.481 175.481 174.470 1.011 17518
4295 1 8 . 1 1 59 59 GLU CA C 478 54.597 54.597 54.305 0.292 17518
4296 1 8 . 1 1 59 59 GLU CB C 478 32.759 32.759 32.651 0.108 17518
4297 1 8 . 1 1 59 59 GLU H H 478 8.558 8.558 8.827 -0.269 17518
4298 1 8 . 1 1 60 60 ALA N N 479 124.321 124.321 125.975 -1.654 17518
4299 1 8 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.948 -0.156 17518
4300 1 8 . 1 1 60 60 ALA C C 479 174.955 174.955 175.486 -0.531 17518
4301 1 8 . 1 1 60 60 ALA CA C 479 51.141 51.141 51.575 -0.434 17518
4302 1 8 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.754 1.340 17518
4303 1 8 . 1 1 60 60 ALA H H 479 9.614 9.614 9.212 0.402 17518
4304 1 8 . 1 1 61 61 ALA N N 480 120.954 120.954 121.512 -0.558 17518
4305 1 8 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.406 -0.612 17518
4306 1 8 . 1 1 61 61 ALA C C 480 174.782 174.782 175.001 -0.219 17518
4307 1 8 . 1 1 61 61 ALA CA C 480 51.257 51.257 50.378 0.879 17518
4308 1 8 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.830 0.384 17518
4309 1 8 . 1 1 61 61 ALA H H 480 9.346 9.346 9.418 -0.072 17518
4310 1 8 . 1 1 62 62 PHE N N 481 117.021 117.021 119.398 -2.377 17518
4311 1 8 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.751 1.133 17518
4312 1 8 . 1 1 62 62 PHE C C 481 175.044 175.044 173.153 1.891 17518
4313 1 8 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.162 1.426 17518
4314 1 8 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.356 0.907 17518
4315 1 8 . 1 1 62 62 PHE H H 481 8.351 8.351 8.789 -0.438 17518
4316 1 8 . 1 1 63 63 ASN N N 482 116.362 116.362 121.280 -4.918 17518
4317 1 8 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.427 0.681 17518
4318 1 8 . 1 1 63 63 ASN C C 482 172.088 172.088 174.045 -1.957 17518
4319 1 8 . 1 1 63 63 ASN CA C 482 53.710 53.710 51.554 2.156 17518
4320 1 8 . 1 1 63 63 ASN CB C 482 41.348 41.348 40.663 0.685 17518
4321 1 8 . 1 1 63 63 ASN H H 482 9.077 9.077 8.207 0.870 17518
4322 1 8 . 1 1 64 64 ASP N N 483 118.002 118.002 120.136 -2.134 17518
4323 1 8 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.129 0.055 17518
4324 1 8 . 1 1 64 64 ASP C C 483 177.271 177.271 177.425 -0.154 17518
4325 1 8 . 1 1 64 64 ASP CA C 483 52.301 52.301 53.455 -1.154 17518
4326 1 8 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.865 1.022 17518
4327 1 8 . 1 1 64 64 ASP H H 483 7.482 7.482 8.045 -0.563 17518
4328 1 8 . 1 1 65 65 GLY N N 484 110.602 110.602 108.600 2.002 17518
4329 1 8 . 1 1 65 65 GLY C C 484 173.156 173.156 174.366 -1.210 17518
4330 1 8 . 1 1 65 65 GLY CA C 484 45.615 45.615 46.180 -0.565 17518
4331 1 8 . 1 1 65 65 GLY H H 484 8.696 8.696 8.108 0.588 17518
4332 1 8 . 1 1 66 66 ASN N N 485 120.867 120.867 117.993 2.874 17518
4333 1 8 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.625 0.079 17518
4334 1 8 . 1 1 66 66 ASN C C 485 174.442 174.442 175.709 -1.267 17518
4335 1 8 . 1 1 66 66 ASN CA C 485 52.311 52.311 53.877 -1.566 17518
4336 1 8 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.333 0.158 17518
4337 1 8 . 1 1 66 66 ASN H H 485 8.371 8.371 8.279 0.092 17518
4338 1 8 . 1 1 67 67 ASN N N 486 113.518 113.518 112.990 0.528 17518
4339 1 8 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.682 -0.504 17518
4340 1 8 . 1 1 67 67 ASN C C 486 173.845 173.845 173.565 0.280 17518
4341 1 8 . 1 1 67 67 ASN CA C 486 54.486 54.486 54.060 0.425 17518
4342 1 8 . 1 1 67 67 ASN CB C 486 38.267 38.267 38.676 -0.409 17518
4343 1 8 . 1 1 67 67 ASN H H 486 8.700 8.700 8.274 0.426 17518
4344 1 8 . 1 1 68 68 ASN N N 487 118.464 118.464 121.279 -2.815 17518
4345 1 8 . 1 1 68 68 ASN HA H 487 5.058 5.058 4.870 0.188 17518
4346 1 8 . 1 1 68 68 ASN C C 487 173.449 173.449 174.253 -0.804 17518
4347 1 8 . 1 1 68 68 ASN CA C 487 53.268 53.268 54.000 -0.732 17518
4348 1 8 . 1 1 68 68 ASN CB C 487 38.813 38.813 38.599 0.214 17518
4349 1 8 . 1 1 68 68 ASN H H 487 7.975 7.975 8.553 -0.578 17518
4350 1 8 . 1 1 69 69 TRP N N 488 120.817 120.817 123.615 -2.798 17518
4351 1 8 . 1 1 69 69 TRP HA H 488 4.822 4.822 5.028 -0.206 17518
4352 1 8 . 1 1 69 69 TRP C C 488 176.268 176.268 175.854 0.414 17518
4353 1 8 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.359 1.819 17518
4354 1 8 . 1 1 69 69 TRP CB C 488 32.331 32.331 32.210 0.121 17518
4355 1 8 . 1 1 69 69 TRP H H 488 8.771 8.771 8.234 0.537 17518
4356 1 8 . 1 1 70 70 ASP N N 489 122.179 122.179 120.133 2.046 17518
4357 1 8 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.204 -0.008 17518
4358 1 8 . 1 1 70 70 ASP C C 489 175.441 175.441 174.623 0.818 17518
4359 1 8 . 1 1 70 70 ASP CA C 489 53.345 53.345 53.906 -0.560 17518
4360 1 8 . 1 1 70 70 ASP CB C 489 41.968 41.968 45.014 -3.046 17518
4361 1 8 . 1 1 70 70 ASP H H 489 9.795 9.795 9.166 0.629 17518
4362 1 8 . 1 1 71 71 SER N N 490 117.314 117.314 117.472 -0.158 17518
4363 1 8 . 1 1 71 71 SER HA H 490 5.084 5.084 4.359 0.725 17518
4364 1 8 . 1 1 71 71 SER C C 490 175.277 175.277 174.532 0.745 17518
4365 1 8 . 1 1 71 71 SER CA C 490 56.099 56.099 55.674 0.425 17518
4366 1 8 . 1 1 71 71 SER CB C 490 66.550 66.550 66.062 0.488 17518
4367 1 8 . 1 1 71 71 SER H H 490 9.238 9.238 7.943 1.295 17518
4368 1 8 . 1 1 72 72 ASN N N 491 122.911 122.911 119.521 3.390 17518
4369 1 8 . 1 1 72 72 ASN HA H 491 4.367 4.367 4.126 0.241 17518
4370 1 8 . 1 1 72 72 ASN C C 491 176.857 176.857 175.466 1.391 17518
4371 1 8 . 1 1 72 72 ASN CA C 491 53.192 53.192 55.358 -2.166 17518
4372 1 8 . 1 1 72 72 ASN CB C 491 35.574 35.574 38.573 -2.999 17518
4373 1 8 . 1 1 72 72 ASN H H 491 8.536 8.536 8.356 0.180 17518
4374 1 8 . 1 1 73 73 ASN N N 492 116.146 116.146 111.224 4.922 17518
4375 1 8 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.614 -0.229 17518
4376 1 8 . 1 1 73 73 ASN C C 492 176.335 176.335 173.621 2.714 17518
4377 1 8 . 1 1 73 73 ASN CA C 492 54.488 54.488 53.472 1.016 17518
4378 1 8 . 1 1 73 73 ASN CB C 492 37.331 37.331 38.694 -1.363 17518
4379 1 8 . 1 1 73 73 ASN H H 492 9.086 9.086 8.109 0.977 17518
4380 1 8 . 1 1 74 74 THR N N 493 110.420 110.420 112.173 -1.753 17518
4381 1 8 . 1 1 74 74 THR HA H 493 3.779 3.779 4.381 -0.602 17518
4382 1 8 . 1 1 74 74 THR C C 493 173.194 173.194 172.937 0.257 17518
4383 1 8 . 1 1 74 74 THR CA C 493 65.027 65.027 62.885 2.142 17518
4384 1 8 . 1 1 74 74 THR CB C 493 69.730 69.730 68.595 1.135 17518
4385 1 8 . 1 1 74 74 THR H H 493 7.782 7.782 7.776 0.006 17518
4386 1 8 . 1 1 75 75 LYS N N 494 121.968 121.968 120.060 1.908 17518
4387 1 8 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.385 -0.318 17518
4388 1 8 . 1 1 75 75 LYS C C 494 177.470 177.470 174.898 2.572 17518
4389 1 8 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.240 1.769 17518
4390 1 8 . 1 1 75 75 LYS CB C 494 32.586 32.586 34.637 -2.051 17518
4391 1 8 . 1 1 75 75 LYS H H 494 7.652 7.652 7.952 -0.300 17518
4392 1 8 . 1 1 76 76 ASN N N 495 108.525 108.525 114.369 -5.844 17518
4393 1 8 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.589 -0.659 17518
4394 1 8 . 1 1 76 76 ASN C C 495 172.085 172.085 173.042 -0.957 17518
4395 1 8 . 1 1 76 76 ASN CA C 495 54.413 54.413 52.768 1.645 17518
4396 1 8 . 1 1 76 76 ASN CB C 495 39.048 39.048 38.989 0.059 17518
4397 1 8 . 1 1 76 76 ASN H H 495 8.197 8.197 7.776 0.421 17518
4398 1 8 . 1 1 77 77 TYR N N 496 118.076 118.076 118.482 -0.406 17518
4399 1 8 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.663 0.130 17518
4400 1 8 . 1 1 77 77 TYR C C 496 175.074 175.074 174.980 0.094 17518
4401 1 8 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.434 0.238 17518
4402 1 8 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.159 1.626 17518
4403 1 8 . 1 1 77 77 TYR H H 496 9.133 9.133 8.545 0.588 17518
4404 1 8 . 1 1 78 78 SER N N 497 116.400 116.400 115.219 1.181 17518
4405 1 8 . 1 1 78 78 SER HA H 497 5.345 5.345 4.267 1.078 17518
4406 1 8 . 1 1 78 78 SER C C 497 173.130 173.130 172.953 0.177 17518
4407 1 8 . 1 1 78 78 SER CA C 497 57.191 57.191 56.387 0.804 17518
4408 1 8 . 1 1 78 78 SER CB C 497 64.293 64.293 63.981 0.312 17518
4409 1 8 . 1 1 78 78 SER H H 497 8.204 8.204 8.101 0.103 17518
4410 1 8 . 1 1 79 79 PHE N N 498 123.023 123.023 124.097 -1.074 17518
4411 1 8 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.963 -0.153 17518
4412 1 8 . 1 1 79 79 PHE C C 498 175.275 175.275 174.419 0.856 17518
4413 1 8 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.328 0.679 17518
4414 1 8 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.463 -0.474 17518
4415 1 8 . 1 1 79 79 PHE H H 498 9.054 9.054 8.840 0.214 17518
4416 1 8 . 1 1 80 80 SER N N 499 117.002 117.002 116.606 0.396 17518
4417 1 8 . 1 1 80 80 SER HA H 499 4.997 4.997 4.846 0.151 17518
4418 1 8 . 1 1 80 80 SER C C 499 173.356 173.356 174.906 -1.550 17518
4419 1 8 . 1 1 80 80 SER CA C 499 57.357 57.357 56.851 0.506 17518
4420 1 8 . 1 1 80 80 SER CB C 499 65.301 65.301 64.961 0.340 17518
4421 1 8 . 1 1 80 80 SER H H 499 8.804 8.804 8.413 0.391 17518
4422 1 8 . 1 1 81 81 THR N N 500 112.529 112.529 114.934 -2.405 17518
4423 1 8 . 1 1 81 81 THR HA H 500 3.820 3.820 3.980 -0.160 17518
4424 1 8 . 1 1 81 81 THR C C 500 174.378 174.378 175.149 -0.771 17518
4425 1 8 . 1 1 81 81 THR CA C 500 64.220 64.220 63.368 0.852 17518
4426 1 8 . 1 1 81 81 THR CB C 500 69.475 69.475 68.986 0.489 17518
4427 1 8 . 1 1 81 81 THR H H 500 7.559 7.559 8.120 -0.561 17518
4428 1 8 . 1 1 82 82 GLY N N 501 112.234 112.234 113.768 -1.534 17518
4429 1 8 . 1 1 82 82 GLY C C 501 174.342 174.342 172.309 2.033 17518
4430 1 8 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.623 -0.828 17518
4431 1 8 . 1 1 82 82 GLY H H 501 8.409 8.409 8.526 -0.117 17518
4432 1 8 . 1 1 83 83 THR N N 502 120.411 120.411 118.273 2.138 17518
4433 1 8 . 1 1 83 83 THR HA H 502 5.487 5.487 5.152 0.335 17518
4434 1 8 . 1 1 83 83 THR C C 502 174.798 174.798 173.286 1.512 17518
4435 1 8 . 1 1 83 83 THR CA C 502 62.497 62.497 60.847 1.650 17518
4436 1 8 . 1 1 83 83 THR CB C 502 69.978 69.978 71.562 -1.584 17518
4437 1 8 . 1 1 83 83 THR H H 502 8.729 8.729 8.134 0.595 17518
4438 1 8 . 1 1 84 84 SER N N 503 123.023 123.023 120.544 2.479 17518
4439 1 8 . 1 1 84 84 SER HA H 503 5.409 5.409 5.126 0.283 17518
4440 1 8 . 1 1 84 84 SER C C 503 171.976 171.976 173.320 -1.344 17518
4441 1 8 . 1 1 84 84 SER CA C 503 58.675 58.675 56.807 1.868 17518
4442 1 8 . 1 1 84 84 SER CB C 503 67.607 67.607 66.344 1.263 17518
4443 1 8 . 1 1 84 84 SER H H 503 9.121 9.121 9.096 0.025 17518
4444 1 8 . 1 1 85 85 THR N N 504 118.388 118.388 118.911 -0.523 17518
4445 1 8 . 1 1 85 85 THR HA H 504 5.241 5.241 5.117 0.124 17518
4446 1 8 . 1 1 85 85 THR C C 504 172.930 172.930 172.794 0.136 17518
4447 1 8 . 1 1 85 85 THR CA C 504 62.672 62.672 62.498 0.174 17518
4448 1 8 . 1 1 85 85 THR CB C 504 70.641 70.641 71.267 -0.626 17518
4449 1 8 . 1 1 85 85 THR H H 504 9.445 9.445 8.720 0.725 17518
4450 1 8 . 1 1 86 86 TYR N N 505 129.195 129.195 128.617 0.578 17518
4451 1 8 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.472 -0.363 17518
4452 1 8 . 1 1 86 86 TYR C C 505 173.063 173.063 173.712 -0.649 17518
4453 1 8 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.940 1.340 17518
4454 1 8 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.094 -0.434 17518
4455 1 8 . 1 1 86 86 TYR H H 505 9.858 9.858 9.705 0.153 17518
4456 1 8 . 1 1 87 87 THR N N 506 124.861 124.861 123.234 1.627 17518
4457 1 8 . 1 1 87 87 THR HA H 506 4.288 4.288 4.958 -0.670 17518
4458 1 8 . 1 1 87 87 THR C C 506 171.472 171.472 171.963 -0.491 17518
4459 1 8 . 1 1 87 87 THR CA C 506 58.917 58.917 59.301 -0.384 17518
4460 1 8 . 1 1 87 87 THR CB C 506 70.055 70.055 71.332 -1.277 17518
4461 1 8 . 1 1 87 87 THR H H 506 7.906 7.906 8.822 -0.916 17518
4462 1 8 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.688 -0.682 17518
4463 1 8 . 1 1 88 88 PRO C C 507 176.975 176.975 176.518 0.457 17518
4464 1 8 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.467 0.531 17518
4465 1 8 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.928 -0.554 17518
4466 1 8 . 1 1 89 89 GLY N N 508 108.823 108.823 108.656 0.167 17518
4467 1 8 . 1 1 89 89 GLY C C 508 173.757 173.757 173.239 0.518 17518
4468 1 8 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.577 -0.499 17518
4469 1 8 . 1 1 89 89 GLY H H 508 8.294 8.294 8.328 -0.034 17518
4470 1 8 . 1 1 90 90 ASN N N 509 117.850 117.850 117.269 0.581 17518
4471 1 8 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.656 0.067 17518
4472 1 8 . 1 1 90 90 ASN C C 509 176.078 176.078 173.883 2.195 17518
4473 1 8 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.221 -0.315 17518
4474 1 8 . 1 1 90 90 ASN CB C 509 39.922 39.922 38.628 1.294 17518
4475 1 8 . 1 1 90 90 ASN H H 509 8.434 8.434 8.379 0.055 17518
4476 1 8 . 1 1 91 91 SER N N 510 114.973 114.973 116.760 -1.787 17518
4477 1 8 . 1 1 91 91 SER HA H 510 4.133 4.133 4.307 -0.174 17518
4478 1 8 . 1 1 91 91 SER C C 510 174.773 174.773 176.040 -1.267 17518
4479 1 8 . 1 1 91 91 SER CA C 510 58.662 58.662 59.031 -0.368 17518
4480 1 8 . 1 1 91 91 SER CB C 510 62.209 62.209 63.564 -1.355 17518
4481 1 8 . 1 1 91 91 SER H H 510 8.819 8.819 8.603 0.216 17518
4482 1 8 . 1 1 92 92 GLY N N 511 108.552 108.552 113.648 -5.096 17518
4483 1 8 . 1 1 92 92 GLY C C 511 174.613 174.613 174.197 0.416 17518
4484 1 8 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.392 -0.128 17518
4485 1 8 . 1 1 92 92 GLY H H 511 8.472 8.472 8.761 -0.289 17518
4486 1 8 . 1 1 93 93 ASN N N 512 119.035 119.035 120.560 -1.525 17518
4487 1 8 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.788 -0.018 17518
4488 1 8 . 1 1 93 93 ASN C C 512 174.627 174.627 173.601 1.026 17518
4489 1 8 . 1 1 93 93 ASN CA C 512 52.833 52.833 53.159 -0.326 17518
4490 1 8 . 1 1 93 93 ASN CB C 512 39.771 39.771 40.372 -0.601 17518
4491 1 8 . 1 1 93 93 ASN H H 512 7.985 7.985 8.058 -0.073 17518
4492 1 8 . 1 1 94 94 ALA N N 513 123.854 123.854 122.177 1.677 17518
4493 1 8 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.535 0.069 17518
4494 1 8 . 1 1 94 94 ALA C C 513 178.511 178.511 176.485 2.026 17518
4495 1 8 . 1 1 94 94 ALA CA C 513 52.699 52.699 51.954 0.745 17518
4496 1 8 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.572 -0.164 17518
4497 1 8 . 1 1 94 94 ALA H H 513 8.442 8.442 8.298 0.144 17518
4498 1 8 . 1 1 95 95 GLY N N 514 108.880 108.880 111.573 -2.693 17518
4499 1 8 . 1 1 95 95 GLY C C 514 173.104 173.104 174.146 -1.042 17518
4500 1 8 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.566 -0.670 17518
4501 1 8 . 1 1 95 95 GLY H H 514 8.353 8.353 8.502 -0.149 17518
4502 1 8 . 1 1 96 96 THR N N 515 110.444 110.444 116.675 -6.231 17518
4503 1 8 . 1 1 96 96 THR HA H 515 4.504 4.504 4.484 0.020 17518
4504 1 8 . 1 1 96 96 THR C C 515 173.214 173.214 173.802 -0.588 17518
4505 1 8 . 1 1 96 96 THR CA C 515 60.947 60.947 60.863 0.084 17518
4506 1 8 . 1 1 96 96 THR CB C 515 72.111 72.111 70.770 1.341 17518
4507 1 8 . 1 1 96 96 THR H H 515 7.839 7.839 8.591 -0.752 17518
4508 1 8 . 1 1 97 97 ILE N N 516 126.770 126.770 124.135 2.635 17518
4509 1 8 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.211 -0.240 17518
4510 1 8 . 1 1 97 97 ILE C C 516 176.061 176.061 175.817 0.244 17518
4511 1 8 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.541 1.504 17518
4512 1 8 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.183 -0.441 17518
4513 1 8 . 1 1 97 97 ILE H H 516 8.733 8.733 8.369 0.364 17518
4514 1 8 . 1 1 98 98 THR N N 517 121.307 121.307 119.276 2.031 17518
4515 1 8 . 1 1 98 98 THR HA H 517 4.693 4.693 4.800 -0.107 17518
4516 1 8 . 1 1 98 98 THR C C 517 173.622 173.622 173.303 0.319 17518
4517 1 8 . 1 1 98 98 THR CA C 517 59.692 59.692 59.802 -0.110 17518
4518 1 8 . 1 1 98 98 THR CB C 517 71.290 71.290 70.806 0.484 17518
4519 1 8 . 1 1 98 98 THR H H 517 9.270 9.270 8.951 0.319 17518
4520 1 8 . 1 1 99 99 SER N N 518 118.544 118.544 116.564 1.980 17518
4521 1 8 . 1 1 99 99 SER HA H 518 4.548 4.548 4.723 -0.175 17518
4522 1 8 . 1 1 99 99 SER C C 518 175.405 175.405 174.098 1.307 17518
4523 1 8 . 1 1 99 99 SER CA C 518 59.662 59.662 57.204 2.458 17518
4524 1 8 . 1 1 99 99 SER CB C 518 63.836 63.836 62.891 0.945 17518
4525 1 8 . 1 1 99 99 SER H H 518 8.667 8.667 8.569 0.098 17518
4526 1 8 . 1 1 100 100 GLY N N 519 113.982 113.982 111.034 2.948 17518
4527 1 8 . 1 1 100 100 GLY C C 519 171.714 171.714 172.889 -1.175 17518
4528 1 8 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.362 -0.289 17518
4529 1 8 . 1 1 100 100 GLY H H 519 8.443 8.443 7.606 0.837 17518
4530 1 8 . 1 1 101 101 ALA N N 520 120.741 120.741 125.680 -4.939 17518
4531 1 8 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.586 -0.979 17518
4532 1 8 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.960 -1.497 17518
4533 1 8 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.395 -1.264 17518
4534 1 8 . 1 1 101 101 ALA H H 520 7.908 7.908 8.203 -0.295 17518
4535 1 8 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.359 -0.317 17518
4536 1 8 . 1 1 102 102 PRO C C 521 175.467 175.467 176.443 -0.976 17518
4537 1 8 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.719 -0.021 17518
4538 1 8 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.266 -0.402 17518
4539 1 8 . 1 1 103 103 ALA N N 522 122.930 122.930 125.840 -2.910 17518
4540 1 8 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.420 -0.307 17518
4541 1 8 . 1 1 103 103 ALA C C 522 177.009 177.009 177.712 -0.703 17518
4542 1 8 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.555 0.401 17518
4543 1 8 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.032 1.657 17518
4544 1 8 . 1 1 103 103 ALA H H 522 7.993 7.993 8.407 -0.414 17518
4545 1 9 . 1 1 2 2 GLY C C 421 174.167 174.167 172.708 1.459 17518
4546 1 9 . 1 1 2 2 GLY CA C 421 45.259 45.259 44.761 0.498 17518
4547 1 9 . 1 1 3 3 THR N N 422 113.380 113.380 115.436 -2.056 17518
4548 1 9 . 1 1 3 3 THR HA H 422 4.348 4.348 4.567 -0.219 17518
4549 1 9 . 1 1 3 3 THR C C 422 174.773 174.773 174.608 0.165 17518
4550 1 9 . 1 1 3 3 THR CA C 422 61.357 61.357 61.069 0.288 17518
4551 1 9 . 1 1 3 3 THR CB C 422 69.791 69.791 69.717 0.074 17518
4552 1 9 . 1 1 3 3 THR H H 422 8.099 8.099 8.382 -0.283 17518
4553 1 9 . 1 1 4 4 GLY N N 423 113.124 113.124 114.163 -1.039 17518
4554 1 9 . 1 1 4 4 GLY C C 423 173.909 173.909 172.722 1.187 17518
4555 1 9 . 1 1 4 4 GLY CA C 423 45.058 45.058 45.379 -0.321 17518
4556 1 9 . 1 1 4 4 GLY H H 423 8.770 8.770 8.124 0.646 17518
4557 1 9 . 1 1 5 5 ASN N N 424 121.226 121.226 120.682 0.544 17518
4558 1 9 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.810 -0.236 17518
4559 1 9 . 1 1 5 5 ASN C C 424 174.450 174.450 173.779 0.671 17518
4560 1 9 . 1 1 5 5 ASN CA C 424 53.237 53.237 53.857 -0.620 17518
4561 1 9 . 1 1 5 5 ASN CB C 424 38.520 38.520 39.585 -1.065 17518
4562 1 9 . 1 1 5 5 ASN H H 424 8.988 8.988 8.382 0.606 17518
4563 1 9 . 1 1 6 6 LYS N N 425 119.587 119.587 121.104 -1.517 17518
4564 1 9 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.560 0.569 17518
4565 1 9 . 1 1 6 6 LYS C C 425 176.281 176.281 174.785 1.496 17518
4566 1 9 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.358 -0.964 17518
4567 1 9 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.744 -0.296 17518
4568 1 9 . 1 1 6 6 LYS H H 425 8.354 8.354 8.329 0.025 17518
4569 1 9 . 1 1 7 7 VAL N N 426 124.203 124.203 126.447 -2.244 17518
4570 1 9 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.923 -0.461 17518
4571 1 9 . 1 1 7 7 VAL C C 426 174.564 174.564 174.642 -0.078 17518
4572 1 9 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.580 0.789 17518
4573 1 9 . 1 1 7 7 VAL CB C 426 34.432 34.432 34.754 -0.322 17518
4574 1 9 . 1 1 7 7 VAL H H 426 8.774 8.774 8.857 -0.083 17518
4575 1 9 . 1 1 8 8 THR N N 427 125.363 125.363 123.620 1.743 17518
4576 1 9 . 1 1 8 8 THR HA H 427 5.326 5.326 5.177 0.149 17518
4577 1 9 . 1 1 8 8 THR C C 427 173.108 173.108 173.135 -0.027 17518
4578 1 9 . 1 1 8 8 THR CA C 427 61.752 61.752 61.522 0.230 17518
4579 1 9 . 1 1 8 8 THR CB C 427 69.860 69.860 70.392 -0.532 17518
4580 1 9 . 1 1 8 8 THR H H 427 8.851 8.851 9.037 -0.186 17518
4581 1 9 . 1 1 9 9 ILE N N 428 127.015 127.015 126.873 0.142 17518
4582 1 9 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.654 0.002 17518
4583 1 9 . 1 1 9 9 ILE C C 428 175.404 175.404 174.122 1.282 17518
4584 1 9 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.421 -0.541 17518
4585 1 9 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.629 1.562 17518
4586 1 9 . 1 1 9 9 ILE H H 428 8.628 8.628 9.193 -0.565 17518
4587 1 9 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.468 -0.299 17518
4588 1 9 . 1 1 10 10 TYR C C 429 174.161 174.161 174.884 -0.723 17518
4589 1 9 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.184 3.067 17518
4590 1 9 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.121 1.262 17518
4591 1 9 . 1 1 10 10 TYR H H 429 9.069 9.069 9.238 -0.169 17518
4592 1 9 . 1 1 11 11 TYR N N 430 125.905 125.905 125.617 0.288 17518
4593 1 9 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.648 -0.658 17518
4594 1 9 . 1 1 11 11 TYR C C 430 173.359 173.359 174.324 -0.965 17518
4595 1 9 . 1 1 11 11 TYR CA C 430 56.630 56.630 55.300 1.330 17518
4596 1 9 . 1 1 11 11 TYR CB C 430 42.942 42.942 41.874 1.068 17518
4597 1 9 . 1 1 11 11 TYR H H 430 9.500 9.500 8.980 0.520 17518
4598 1 9 . 1 1 12 12 LYS N N 431 131.688 131.688 125.545 6.143 17518
4599 1 9 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.482 0.880 17518
4600 1 9 . 1 1 12 12 LYS C C 431 172.929 172.929 174.716 -1.787 17518
4601 1 9 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.445 0.422 17518
4602 1 9 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.507 0.664 17518
4603 1 9 . 1 1 12 12 LYS H H 431 8.410 8.410 7.832 0.578 17518
4604 1 9 . 1 1 13 13 LYS N N 432 125.124 125.124 126.145 -1.021 17518
4605 1 9 . 1 1 13 13 LYS HA H 432 3.872 3.872 4.033 -0.161 17518
4606 1 9 . 1 1 13 13 LYS C C 432 180.107 180.107 176.286 3.821 17518
4607 1 9 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.502 -3.994 17518
4608 1 9 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.232 -0.578 17518
4609 1 9 . 1 1 14 14 GLY N N 433 112.761 112.761 112.375 0.386 17518
4610 1 9 . 1 1 14 14 GLY C C 433 174.180 174.180 174.372 -0.192 17518
4611 1 9 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.250 1.092 17518
4612 1 9 . 1 1 14 14 GLY H H 433 7.585 7.585 8.533 -0.948 17518
4613 1 9 . 1 1 15 15 PHE N N 434 121.529 121.529 118.134 3.395 17518
4614 1 9 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.737 -0.046 17518
4615 1 9 . 1 1 15 15 PHE C C 434 175.899 175.899 175.546 0.353 17518
4616 1 9 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.028 -1.871 17518
4617 1 9 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.745 -2.273 17518
4618 1 9 . 1 1 15 15 PHE H H 434 8.454 8.454 8.057 0.397 17518
4619 1 9 . 1 1 16 16 ASN N N 435 117.583 117.583 115.077 2.506 17518
4620 1 9 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.619 -0.220 17518
4621 1 9 . 1 1 16 16 ASN C C 435 176.259 176.259 173.943 2.316 17518
4622 1 9 . 1 1 16 16 ASN CA C 435 56.521 56.521 54.137 2.384 17518
4623 1 9 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.626 0.740 17518
4624 1 9 . 1 1 16 16 ASN H H 435 8.513 8.513 8.599 -0.086 17518
4625 1 9 . 1 1 17 17 SER N N 436 112.889 112.889 116.264 -3.375 17518
4626 1 9 . 1 1 17 17 SER HA H 436 4.798 4.798 4.906 -0.108 17518
4627 1 9 . 1 1 17 17 SER C C 436 171.151 171.151 171.763 -0.612 17518
4628 1 9 . 1 1 17 17 SER CA C 436 53.721 53.721 55.795 -2.074 17518
4629 1 9 . 1 1 17 17 SER CB C 436 63.834 63.834 64.243 -0.409 17518
4630 1 9 . 1 1 17 17 SER H H 436 8.315 8.315 8.438 -0.123 17518
4631 1 9 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.325 0.237 17518
4632 1 9 . 1 1 18 18 PRO C C 437 175.812 175.812 175.344 0.468 17518
4633 1 9 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.233 0.384 17518
4634 1 9 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.508 0.266 17518
4635 1 9 . 1 1 19 19 TYR N N 438 122.060 122.060 118.636 3.424 17518
4636 1 9 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.688 0.142 17518
4637 1 9 . 1 1 19 19 TYR C C 438 174.732 174.732 174.788 -0.056 17518
4638 1 9 . 1 1 19 19 TYR CA C 438 56.729 56.729 57.231 -0.502 17518
4639 1 9 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.137 -0.379 17518
4640 1 9 . 1 1 19 19 TYR H H 438 9.072 9.072 8.670 0.402 17518
4641 1 9 . 1 1 20 20 ILE N N 439 118.018 118.018 120.808 -2.790 17518
4642 1 9 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.648 0.340 17518
4643 1 9 . 1 1 20 20 ILE C C 439 171.341 171.341 174.324 -2.983 17518
4644 1 9 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.490 -0.917 17518
4645 1 9 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.354 0.304 17518
4646 1 9 . 1 1 20 20 ILE H H 439 9.164 9.164 8.646 0.518 17518
4647 1 9 . 1 1 21 21 HIS N N 440 133.346 133.346 130.610 2.736 17518
4648 1 9 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.868 0.507 17518
4649 1 9 . 1 1 21 21 HIS C C 440 174.947 174.947 173.398 1.549 17518
4650 1 9 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.208 -0.407 17518
4651 1 9 . 1 1 21 21 HIS CB C 440 35.001 35.001 30.457 4.544 17518
4652 1 9 . 1 1 21 21 HIS H H 440 8.843 8.843 8.522 0.321 17518
4653 1 9 . 1 1 22 22 TYR N N 441 121.863 121.863 122.760 -0.897 17518
4654 1 9 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.583 0.474 17518
4655 1 9 . 1 1 22 22 TYR C C 441 173.567 173.567 173.238 0.329 17518
4656 1 9 . 1 1 22 22 TYR CA C 441 56.693 56.693 55.124 1.569 17518
4657 1 9 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.773 1.023 17518
4658 1 9 . 1 1 22 22 TYR H H 441 8.231 8.231 7.794 0.437 17518
4659 1 9 . 1 1 23 23 ARG N N 442 116.788 116.788 120.749 -3.961 17518
4660 1 9 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.716 -0.085 17518
4661 1 9 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.798 -0.438 17518
4662 1 9 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.536 -1.222 17518
4663 1 9 . 1 1 23 23 ARG H H 442 8.456 8.456 8.989 -0.533 17518
4664 1 9 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.501 0.006 17518
4665 1 9 . 1 1 24 24 PRO C C 443 176.258 176.258 175.940 0.318 17518
4666 1 9 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.974 0.270 17518
4667 1 9 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.343 -0.146 17518
4668 1 9 . 1 1 25 25 ALA N N 444 125.666 125.666 125.820 -0.154 17518
4669 1 9 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.960 -0.002 17518
4670 1 9 . 1 1 25 25 ALA C C 444 179.221 179.221 177.548 1.673 17518
4671 1 9 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.309 0.871 17518
4672 1 9 . 1 1 25 25 ALA CB C 444 18.420 18.420 18.116 0.303 17518
4673 1 9 . 1 1 25 25 ALA H H 444 8.230 8.230 8.266 -0.036 17518
4674 1 9 . 1 1 26 26 GLY N N 445 112.217 112.217 109.854 2.363 17518
4675 1 9 . 1 1 26 26 GLY C C 445 174.734 174.734 174.395 0.339 17518
4676 1 9 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.641 1.021 17518
4677 1 9 . 1 1 26 26 GLY H H 445 8.591 8.591 7.856 0.735 17518
4678 1 9 . 1 1 27 27 GLY N N 446 109.489 109.489 109.378 0.111 17518
4679 1 9 . 1 1 27 27 GLY C C 446 173.379 173.379 172.869 0.510 17518
4680 1 9 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.267 -0.150 17518
4681 1 9 . 1 1 27 27 GLY H H 446 8.380 8.380 8.417 -0.037 17518
4682 1 9 . 1 1 28 28 SER N N 447 117.275 117.275 114.612 2.663 17518
4683 1 9 . 1 1 28 28 SER HA H 447 4.637 4.637 4.617 0.020 17518
4684 1 9 . 1 1 28 28 SER C C 447 173.759 173.759 173.359 0.400 17518
4685 1 9 . 1 1 28 28 SER CA C 447 57.410 57.410 57.465 -0.055 17518
4686 1 9 . 1 1 28 28 SER CB C 447 65.022 65.022 65.377 -0.355 17518
4687 1 9 . 1 1 28 28 SER H H 447 8.585 8.585 8.211 0.374 17518
4688 1 9 . 1 1 29 29 TRP N N 448 123.426 123.426 122.471 0.955 17518
4689 1 9 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.440 -0.047 17518
4690 1 9 . 1 1 29 29 TRP C C 448 178.997 178.997 177.297 1.700 17518
4691 1 9 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.825 0.341 17518
4692 1 9 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.266 0.340 17518
4693 1 9 . 1 1 29 29 TRP H H 448 8.346 8.346 8.496 -0.150 17518
4694 1 9 . 1 1 30 30 THR N N 449 111.168 111.168 114.889 -3.721 17518
4695 1 9 . 1 1 30 30 THR HA H 449 3.978 3.978 4.429 -0.451 17518
4696 1 9 . 1 1 30 30 THR C C 449 174.707 174.707 174.063 0.644 17518
4697 1 9 . 1 1 30 30 THR CA C 449 61.317 61.317 61.441 -0.124 17518
4698 1 9 . 1 1 30 30 THR CB C 449 70.526 70.526 69.682 0.844 17518
4699 1 9 . 1 1 30 30 THR H H 449 7.888 7.888 8.315 -0.427 17518
4700 1 9 . 1 1 31 31 ALA N N 450 122.982 122.982 124.045 -1.063 17518
4701 1 9 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.309 0.090 17518
4702 1 9 . 1 1 31 31 ALA C C 450 178.443 178.443 176.535 1.908 17518
4703 1 9 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.453 0.431 17518
4704 1 9 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.110 -0.049 17518
4705 1 9 . 1 1 31 31 ALA H H 450 8.383 8.383 8.483 -0.100 17518
4706 1 9 . 1 1 32 32 ALA N N 451 129.780 129.780 126.900 2.880 17518
4707 1 9 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.169 -0.311 17518
4708 1 9 . 1 1 32 32 ALA C C 451 175.997 175.997 175.873 0.124 17518
4709 1 9 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.369 1.442 17518
4710 1 9 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.347 -2.101 17518
4711 1 9 . 1 1 32 32 ALA H H 451 8.778 8.778 7.830 0.948 17518
4712 1 9 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.251 -0.407 17518
4713 1 9 . 1 1 33 33 PRO C C 452 173.297 173.297 176.820 -3.523 17518
4714 1 9 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.454 1.278 17518
4715 1 9 . 1 1 33 33 PRO CB C 452 33.646 33.646 32.557 1.089 17518
4716 1 9 . 1 1 34 34 GLY N N 453 112.150 112.150 112.423 -0.273 17518
4717 1 9 . 1 1 34 34 GLY C C 453 174.011 174.011 173.926 0.085 17518
4718 1 9 . 1 1 34 34 GLY CA C 453 43.995 43.995 46.215 -2.220 17518
4719 1 9 . 1 1 34 34 GLY H H 453 8.685 8.685 7.970 0.715 17518
4720 1 9 . 1 1 35 35 VAL N N 454 123.276 123.276 122.537 0.739 17518
4721 1 9 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.389 -0.043 17518
4722 1 9 . 1 1 35 35 VAL C C 454 174.782 174.782 175.241 -0.459 17518
4723 1 9 . 1 1 35 35 VAL CA C 454 60.959 60.959 59.852 1.107 17518
4724 1 9 . 1 1 35 35 VAL CB C 454 34.857 34.857 35.716 -0.859 17518
4725 1 9 . 1 1 35 35 VAL H H 454 9.287 9.287 8.449 0.838 17518
4726 1 9 . 1 1 36 36 LYS N N 455 128.135 128.135 129.752 -1.617 17518
4727 1 9 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.118 -1.057 17518
4728 1 9 . 1 1 36 36 LYS C C 455 176.438 176.438 176.336 0.102 17518
4729 1 9 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.480 0.743 17518
4730 1 9 . 1 1 36 36 LYS CB C 455 32.619 32.619 31.636 0.983 17518
4731 1 9 . 1 1 36 36 LYS H H 455 8.443 8.443 8.563 -0.120 17518
4732 1 9 . 1 1 37 37 MET N N 456 124.850 124.850 127.027 -2.177 17518
4733 1 9 . 1 1 37 37 MET HA H 456 4.207 4.207 4.115 0.092 17518
4734 1 9 . 1 1 37 37 MET C C 456 175.590 175.590 176.285 -0.695 17518
4735 1 9 . 1 1 37 37 MET CA C 456 56.409 56.409 57.481 -1.072 17518
4736 1 9 . 1 1 37 37 MET CB C 456 34.978 34.978 32.107 2.871 17518
4737 1 9 . 1 1 37 37 MET H H 456 8.121 8.121 8.281 -0.160 17518
4738 1 9 . 1 1 38 38 GLN N N 457 121.555 121.555 122.566 -1.011 17518
4739 1 9 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.077 0.316 17518
4740 1 9 . 1 1 38 38 GLN C C 457 175.737 175.737 175.706 0.031 17518
4741 1 9 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.777 -1.994 17518
4742 1 9 . 1 1 38 38 GLN CB C 457 30.307 30.307 29.046 1.261 17518
4743 1 9 . 1 1 38 38 GLN H H 457 8.441 8.441 8.684 -0.243 17518
4744 1 9 . 1 1 39 39 ASP N N 458 121.629 121.629 118.757 2.872 17518
4745 1 9 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.716 0.015 17518
4746 1 9 . 1 1 39 39 ASP C C 458 176.733 176.733 175.086 1.647 17518
4747 1 9 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.064 2.193 17518
4748 1 9 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.934 -0.576 17518
4749 1 9 . 1 1 39 39 ASP H H 458 8.720 8.720 8.420 0.300 17518
4750 1 9 . 1 1 40 40 ALA N N 459 122.646 122.646 125.374 -2.728 17518
4751 1 9 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.652 -0.360 17518
4752 1 9 . 1 1 40 40 ALA C C 459 175.201 175.201 177.845 -2.644 17518
4753 1 9 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.248 0.308 17518
4754 1 9 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.965 1.983 17518
4755 1 9 . 1 1 40 40 ALA H H 459 8.423 8.423 8.857 -0.434 17518
4756 1 9 . 1 1 41 41 GLU N N 460 120.190 120.190 126.327 -6.137 17518
4757 1 9 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.934 0.373 17518
4758 1 9 . 1 1 41 41 GLU C C 460 174.722 174.722 177.751 -3.029 17518
4759 1 9 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.335 -0.816 17518
4760 1 9 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.141 -1.805 17518
4761 1 9 . 1 1 41 41 GLU H H 460 10.341 10.341 8.896 1.445 17518
4762 1 9 . 1 1 42 42 ILE N N 461 119.473 119.473 118.682 0.791 17518
4763 1 9 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.677 0.634 17518
4764 1 9 . 1 1 42 42 ILE C C 461 174.959 174.959 176.363 -1.404 17518
4765 1 9 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.260 -4.294 17518
4766 1 9 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.055 2.690 17518
4767 1 9 . 1 1 42 42 ILE H H 461 6.466 6.466 7.724 -1.258 17518
4768 1 9 . 1 1 43 43 SER N N 462 121.292 121.292 111.628 9.664 17518
4769 1 9 . 1 1 43 43 SER HA H 462 4.297 4.297 4.479 -0.182 17518
4770 1 9 . 1 1 43 43 SER C C 462 175.624 175.624 173.913 1.711 17518
4771 1 9 . 1 1 43 43 SER CA C 462 60.112 60.112 58.413 1.699 17518
4772 1 9 . 1 1 43 43 SER CB C 462 63.116 63.116 63.279 -0.163 17518
4773 1 9 . 1 1 43 43 SER H H 462 8.584 8.584 7.649 0.935 17518
4774 1 9 . 1 1 44 44 GLY N N 463 111.896 111.896 107.729 4.167 17518
4775 1 9 . 1 1 44 44 GLY C C 463 173.823 173.823 172.807 1.016 17518
4776 1 9 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.343 -0.464 17518
4777 1 9 . 1 1 44 44 GLY H H 463 8.623 8.623 7.996 0.627 17518
4778 1 9 . 1 1 45 45 TYR N N 464 116.379 116.379 120.087 -3.708 17518
4779 1 9 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.705 0.993 17518
4780 1 9 . 1 1 45 45 TYR C C 464 175.693 175.693 173.383 2.310 17518
4781 1 9 . 1 1 45 45 TYR CA C 464 56.612 56.612 57.090 -0.478 17518
4782 1 9 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.571 -0.647 17518
4783 1 9 . 1 1 45 45 TYR H H 464 7.803 7.803 8.083 -0.280 17518
4784 1 9 . 1 1 46 46 ALA N N 465 126.206 126.206 120.358 5.848 17518
4785 1 9 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.485 -0.148 17518
4786 1 9 . 1 1 46 46 ALA C C 465 176.129 176.129 175.851 0.278 17518
4787 1 9 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.842 0.614 17518
4788 1 9 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.136 2.210 17518
4789 1 9 . 1 1 46 46 ALA H H 465 9.910 9.910 9.257 0.653 17518
4790 1 9 . 1 1 47 47 LYS N N 466 120.226 120.226 121.303 -1.077 17518
4791 1 9 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.250 0.422 17518
4792 1 9 . 1 1 47 47 LYS C C 466 173.880 173.880 174.758 -0.878 17518
4793 1 9 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.327 0.079 17518
4794 1 9 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.521 0.639 17518
4795 1 9 . 1 1 47 47 LYS H H 466 9.373 9.373 8.387 0.986 17518
4796 1 9 . 1 1 48 48 ILE N N 467 120.505 120.505 121.166 -0.661 17518
4797 1 9 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.505 -0.102 17518
4798 1 9 . 1 1 48 48 ILE C C 467 171.247 171.247 173.292 -2.045 17518
4799 1 9 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.422 -0.040 17518
4800 1 9 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.814 -0.280 17518
4801 1 9 . 1 1 48 48 ILE H H 467 8.085 8.085 8.824 -0.739 17518
4802 1 9 . 1 1 49 49 THR N N 468 122.247 122.247 125.235 -2.988 17518
4803 1 9 . 1 1 49 49 THR HA H 468 5.301 5.301 5.246 0.055 17518
4804 1 9 . 1 1 49 49 THR C C 468 173.694 173.694 173.414 0.280 17518
4805 1 9 . 1 1 49 49 THR CA C 468 61.871 61.871 61.000 0.871 17518
4806 1 9 . 1 1 49 49 THR CB C 468 70.649 70.649 70.052 0.597 17518
4807 1 9 . 1 1 49 49 THR H H 468 7.954 7.954 8.178 -0.224 17518
4808 1 9 . 1 1 50 50 VAL N N 469 126.076 126.076 125.051 1.025 17518
4809 1 9 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.037 0.074 17518
4810 1 9 . 1 1 50 50 VAL C C 469 173.826 173.826 174.260 -0.434 17518
4811 1 9 . 1 1 50 50 VAL CA C 469 60.199 60.199 59.441 0.758 17518
4812 1 9 . 1 1 50 50 VAL CB C 469 35.049 35.049 34.117 0.932 17518
4813 1 9 . 1 1 50 50 VAL H H 469 9.242 9.242 9.083 0.159 17518
4814 1 9 . 1 1 51 51 ASP N N 470 126.346 126.346 126.516 -0.170 17518
4815 1 9 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.667 0.246 17518
4816 1 9 . 1 1 51 51 ASP C C 470 177.013 177.013 176.169 0.844 17518
4817 1 9 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.258 -1.244 17518
4818 1 9 . 1 1 51 51 ASP CB C 470 41.919 41.919 41.906 0.013 17518
4819 1 9 . 1 1 51 51 ASP H H 470 8.476 8.476 8.612 -0.136 17518
4820 1 9 . 1 1 52 52 ILE N N 471 118.935 118.935 117.012 1.923 17518
4821 1 9 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.617 -0.079 17518
4822 1 9 . 1 1 52 52 ILE C C 471 176.991 176.991 176.070 0.921 17518
4823 1 9 . 1 1 52 52 ILE CA C 471 59.992 59.992 59.652 0.340 17518
4824 1 9 . 1 1 52 52 ILE CB C 471 38.002 38.002 38.826 -0.824 17518
4825 1 9 . 1 1 52 52 ILE H H 471 8.728 8.728 8.639 0.089 17518
4826 1 9 . 1 1 53 53 GLY N N 472 114.498 114.498 110.374 4.124 17518
4827 1 9 . 1 1 53 53 GLY C C 472 174.971 174.971 173.616 1.355 17518
4828 1 9 . 1 1 53 53 GLY CA C 472 47.668 47.668 47.153 0.515 17518
4829 1 9 . 1 1 53 53 GLY H H 472 9.078 9.078 9.112 -0.034 17518
4830 1 9 . 1 1 54 54 SER N N 473 120.546 120.546 115.925 4.621 17518
4831 1 9 . 1 1 54 54 SER HA H 473 4.426 4.426 4.254 0.172 17518
4832 1 9 . 1 1 54 54 SER C C 473 174.975 174.975 172.638 2.337 17518
4833 1 9 . 1 1 54 54 SER CA C 473 58.417 58.417 58.719 -0.302 17518
4834 1 9 . 1 1 54 54 SER CB C 473 63.632 63.632 63.875 -0.243 17518
4835 1 9 . 1 1 54 54 SER H H 473 8.808 8.808 8.632 0.176 17518
4836 1 9 . 1 1 55 55 ALA N N 474 125.402 125.402 124.159 1.243 17518
4837 1 9 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.736 -0.370 17518
4838 1 9 . 1 1 55 55 ALA C C 474 176.116 176.116 175.901 0.215 17518
4839 1 9 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.002 1.370 17518
4840 1 9 . 1 1 55 55 ALA CB C 474 20.315 20.315 20.804 -0.489 17518
4841 1 9 . 1 1 55 55 ALA H H 474 7.738 7.738 8.004 -0.266 17518
4842 1 9 . 1 1 56 56 SER N N 475 110.149 110.149 116.605 -6.456 17518
4843 1 9 . 1 1 56 56 SER HA H 475 4.539 4.539 4.375 0.164 17518
4844 1 9 . 1 1 56 56 SER C C 475 173.662 173.662 173.924 -0.262 17518
4845 1 9 . 1 1 56 56 SER CA C 475 58.121 58.121 60.209 -2.088 17518
4846 1 9 . 1 1 56 56 SER CB C 475 65.000 65.000 63.779 1.221 17518
4847 1 9 . 1 1 56 56 SER H H 475 8.756 8.756 8.703 0.053 17518
4848 1 9 . 1 1 57 57 GLN N N 476 117.023 117.023 116.442 0.581 17518
4849 1 9 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.854 0.204 17518
4850 1 9 . 1 1 57 57 GLN C C 476 173.042 173.042 173.385 -0.343 17518
4851 1 9 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.123 -0.899 17518
4852 1 9 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.972 -0.363 17518
4853 1 9 . 1 1 57 57 GLN H H 476 7.139 7.139 7.448 -0.309 17518
4854 1 9 . 1 1 58 58 LEU N N 477 121.156 121.156 120.869 0.287 17518
4855 1 9 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.119 -0.373 17518
4856 1 9 . 1 1 58 58 LEU C C 477 173.922 173.922 174.067 -0.145 17518
4857 1 9 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.080 -0.572 17518
4858 1 9 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.279 1.001 17518
4859 1 9 . 1 1 58 58 LEU H H 477 9.149 9.149 9.182 -0.033 17518
4860 1 9 . 1 1 59 59 GLU N N 478 126.375 126.375 125.312 1.063 17518
4861 1 9 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.490 -0.134 17518
4862 1 9 . 1 1 59 59 GLU C C 478 175.481 175.481 174.932 0.549 17518
4863 1 9 . 1 1 59 59 GLU CA C 478 54.597 54.597 54.897 -0.299 17518
4864 1 9 . 1 1 59 59 GLU CB C 478 32.759 32.759 33.256 -0.497 17518
4865 1 9 . 1 1 59 59 GLU H H 478 8.558 8.558 8.992 -0.434 17518
4866 1 9 . 1 1 60 60 ALA N N 479 124.321 124.321 128.010 -3.689 17518
4867 1 9 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.915 -0.123 17518
4868 1 9 . 1 1 60 60 ALA C C 479 174.955 174.955 175.371 -0.416 17518
4869 1 9 . 1 1 60 60 ALA CA C 479 51.141 51.141 51.101 0.040 17518
4870 1 9 . 1 1 60 60 ALA CB C 479 25.094 25.094 24.040 1.054 17518
4871 1 9 . 1 1 60 60 ALA H H 479 9.614 9.614 9.404 0.210 17518
4872 1 9 . 1 1 61 61 ALA N N 480 120.954 120.954 121.259 -0.305 17518
4873 1 9 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.364 -0.570 17518
4874 1 9 . 1 1 61 61 ALA C C 480 174.782 174.782 174.828 -0.046 17518
4875 1 9 . 1 1 61 61 ALA CA C 480 51.257 51.257 50.562 0.695 17518
4876 1 9 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.836 0.378 17518
4877 1 9 . 1 1 61 61 ALA H H 480 9.346 9.346 9.340 0.006 17518
4878 1 9 . 1 1 62 62 PHE N N 481 117.021 117.021 119.815 -2.794 17518
4879 1 9 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.831 1.053 17518
4880 1 9 . 1 1 62 62 PHE C C 481 175.044 175.044 173.077 1.967 17518
4881 1 9 . 1 1 62 62 PHE CA C 481 56.588 56.588 54.875 1.713 17518
4882 1 9 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.371 0.892 17518
4883 1 9 . 1 1 62 62 PHE H H 481 8.351 8.351 8.759 -0.408 17518
4884 1 9 . 1 1 63 63 ASN N N 482 116.362 116.362 120.372 -4.010 17518
4885 1 9 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.449 0.659 17518
4886 1 9 . 1 1 63 63 ASN C C 482 172.088 172.088 174.166 -2.078 17518
4887 1 9 . 1 1 63 63 ASN CA C 482 53.710 53.710 51.787 1.923 17518
4888 1 9 . 1 1 63 63 ASN CB C 482 41.348 41.348 40.868 0.480 17518
4889 1 9 . 1 1 63 63 ASN H H 482 9.077 9.077 8.331 0.746 17518
4890 1 9 . 1 1 64 64 ASP N N 483 118.002 118.002 120.886 -2.884 17518
4891 1 9 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.155 0.029 17518
4892 1 9 . 1 1 64 64 ASP C C 483 177.271 177.271 177.216 0.055 17518
4893 1 9 . 1 1 64 64 ASP CA C 483 52.301 52.301 53.563 -1.262 17518
4894 1 9 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.706 1.181 17518
4895 1 9 . 1 1 64 64 ASP H H 483 7.482 7.482 7.954 -0.472 17518
4896 1 9 . 1 1 65 65 GLY N N 484 110.602 110.602 108.581 2.021 17518
4897 1 9 . 1 1 65 65 GLY C C 484 173.156 173.156 174.480 -1.324 17518
4898 1 9 . 1 1 65 65 GLY CA C 484 45.615 45.615 46.183 -0.568 17518
4899 1 9 . 1 1 65 65 GLY H H 484 8.696 8.696 7.990 0.706 17518
4900 1 9 . 1 1 66 66 ASN N N 485 120.867 120.867 118.240 2.627 17518
4901 1 9 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.611 0.093 17518
4902 1 9 . 1 1 66 66 ASN C C 485 174.442 174.442 175.869 -1.427 17518
4903 1 9 . 1 1 66 66 ASN CA C 485 52.311 52.311 54.138 -1.827 17518
4904 1 9 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.207 0.284 17518
4905 1 9 . 1 1 66 66 ASN H H 485 8.371 8.371 8.439 -0.068 17518
4906 1 9 . 1 1 67 67 ASN N N 486 113.518 113.518 111.486 2.032 17518
4907 1 9 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.680 -0.502 17518
4908 1 9 . 1 1 67 67 ASN C C 486 173.845 173.845 173.308 0.537 17518
4909 1 9 . 1 1 67 67 ASN CA C 486 54.486 54.486 53.793 0.693 17518
4910 1 9 . 1 1 67 67 ASN CB C 486 38.267 38.267 39.457 -1.190 17518
4911 1 9 . 1 1 67 67 ASN H H 486 8.700 8.700 8.079 0.621 17518
4912 1 9 . 1 1 68 68 ASN N N 487 118.464 118.464 121.133 -2.669 17518
4913 1 9 . 1 1 68 68 ASN HA H 487 5.058 5.058 4.865 0.193 17518
4914 1 9 . 1 1 68 68 ASN C C 487 173.449 173.449 174.040 -0.591 17518
4915 1 9 . 1 1 68 68 ASN CA C 487 53.268 53.268 53.717 -0.448 17518
4916 1 9 . 1 1 68 68 ASN CB C 487 38.813 38.813 38.717 0.096 17518
4917 1 9 . 1 1 68 68 ASN H H 487 7.975 7.975 8.359 -0.384 17518
4918 1 9 . 1 1 69 69 TRP N N 488 120.817 120.817 123.401 -2.584 17518
4919 1 9 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.917 -0.095 17518
4920 1 9 . 1 1 69 69 TRP C C 488 176.268 176.268 175.944 0.324 17518
4921 1 9 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.429 1.749 17518
4922 1 9 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.840 0.491 17518
4923 1 9 . 1 1 69 69 TRP H H 488 8.771 8.771 8.297 0.474 17518
4924 1 9 . 1 1 70 70 ASP N N 489 122.179 122.179 119.982 2.197 17518
4925 1 9 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.119 0.077 17518
4926 1 9 . 1 1 70 70 ASP C C 489 175.441 175.441 174.719 0.722 17518
4927 1 9 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.101 -0.756 17518
4928 1 9 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.781 -1.813 17518
4929 1 9 . 1 1 70 70 ASP H H 489 9.795 9.795 9.043 0.752 17518
4930 1 9 . 1 1 71 71 SER N N 490 117.314 117.314 117.366 -0.052 17518
4931 1 9 . 1 1 71 71 SER HA H 490 5.084 5.084 3.914 1.170 17518
4932 1 9 . 1 1 71 71 SER C C 490 175.277 175.277 173.982 1.295 17518
4933 1 9 . 1 1 71 71 SER CA C 490 56.099 56.099 55.858 0.241 17518
4934 1 9 . 1 1 71 71 SER CB C 490 66.550 66.550 66.141 0.409 17518
4935 1 9 . 1 1 71 71 SER H H 490 9.238 9.238 8.156 1.082 17518
4936 1 9 . 1 1 72 72 ASN N N 491 122.911 122.911 118.780 4.131 17518
4937 1 9 . 1 1 72 72 ASN HA H 491 4.367 4.367 4.461 -0.094 17518
4938 1 9 . 1 1 72 72 ASN C C 491 176.857 176.857 175.535 1.322 17518
4939 1 9 . 1 1 72 72 ASN CA C 491 53.192 53.192 55.654 -2.462 17518
4940 1 9 . 1 1 72 72 ASN CB C 491 35.574 35.574 38.465 -2.891 17518
4941 1 9 . 1 1 72 72 ASN H H 491 8.536 8.536 8.288 0.248 17518
4942 1 9 . 1 1 73 73 ASN N N 492 116.146 116.146 111.237 4.909 17518
4943 1 9 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.690 -0.305 17518
4944 1 9 . 1 1 73 73 ASN C C 492 176.335 176.335 173.935 2.400 17518
4945 1 9 . 1 1 73 73 ASN CA C 492 54.488 54.488 54.003 0.485 17518
4946 1 9 . 1 1 73 73 ASN CB C 492 37.331 37.331 38.877 -1.546 17518
4947 1 9 . 1 1 73 73 ASN H H 492 9.086 9.086 8.082 1.004 17518
4948 1 9 . 1 1 74 74 THR N N 493 110.420 110.420 110.286 0.134 17518
4949 1 9 . 1 1 74 74 THR HA H 493 3.779 3.779 4.422 -0.643 17518
4950 1 9 . 1 1 74 74 THR C C 493 173.194 173.194 173.344 -0.150 17518
4951 1 9 . 1 1 74 74 THR CA C 493 65.027 65.027 63.210 1.817 17518
4952 1 9 . 1 1 74 74 THR CB C 493 69.730 69.730 68.407 1.323 17518
4953 1 9 . 1 1 74 74 THR H H 493 7.782 7.782 7.830 -0.048 17518
4954 1 9 . 1 1 75 75 LYS N N 494 121.968 121.968 120.756 1.212 17518
4955 1 9 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.446 -0.379 17518
4956 1 9 . 1 1 75 75 LYS C C 494 177.470 177.470 174.707 2.763 17518
4957 1 9 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.377 1.632 17518
4958 1 9 . 1 1 75 75 LYS CB C 494 32.586 32.586 34.203 -1.617 17518
4959 1 9 . 1 1 75 75 LYS H H 494 7.652 7.652 8.081 -0.429 17518
4960 1 9 . 1 1 76 76 ASN N N 495 108.525 108.525 114.205 -5.680 17518
4961 1 9 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.550 -0.620 17518
4962 1 9 . 1 1 76 76 ASN C C 495 172.085 172.085 173.177 -1.092 17518
4963 1 9 . 1 1 76 76 ASN CA C 495 54.413 54.413 52.776 1.637 17518
4964 1 9 . 1 1 76 76 ASN CB C 495 39.048 39.048 39.013 0.035 17518
4965 1 9 . 1 1 76 76 ASN H H 495 8.197 8.197 7.841 0.356 17518
4966 1 9 . 1 1 77 77 TYR N N 496 118.076 118.076 118.158 -0.082 17518
4967 1 9 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.664 0.129 17518
4968 1 9 . 1 1 77 77 TYR C C 496 175.074 175.074 175.078 -0.004 17518
4969 1 9 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.709 -0.038 17518
4970 1 9 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.378 1.407 17518
4971 1 9 . 1 1 77 77 TYR H H 496 9.133 9.133 8.537 0.596 17518
4972 1 9 . 1 1 78 78 SER N N 497 116.400 116.400 115.135 1.265 17518
4973 1 9 . 1 1 78 78 SER HA H 497 5.345 5.345 4.805 0.540 17518
4974 1 9 . 1 1 78 78 SER C C 497 173.130 173.130 172.918 0.212 17518
4975 1 9 . 1 1 78 78 SER CA C 497 57.191 57.191 56.249 0.942 17518
4976 1 9 . 1 1 78 78 SER CB C 497 64.293 64.293 64.277 0.016 17518
4977 1 9 . 1 1 78 78 SER H H 497 8.204 8.204 8.077 0.127 17518
4978 1 9 . 1 1 79 79 PHE N N 498 123.023 123.023 124.899 -1.876 17518
4979 1 9 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.924 -0.114 17518
4980 1 9 . 1 1 79 79 PHE C C 498 175.275 175.275 174.433 0.842 17518
4981 1 9 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.482 0.525 17518
4982 1 9 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.639 -0.650 17518
4983 1 9 . 1 1 79 79 PHE H H 498 9.054 9.054 9.085 -0.031 17518
4984 1 9 . 1 1 80 80 SER N N 499 117.002 117.002 116.444 0.558 17518
4985 1 9 . 1 1 80 80 SER HA H 499 4.997 4.997 4.924 0.073 17518
4986 1 9 . 1 1 80 80 SER C C 499 173.356 173.356 175.212 -1.856 17518
4987 1 9 . 1 1 80 80 SER CA C 499 57.357 57.357 57.309 0.048 17518
4988 1 9 . 1 1 80 80 SER CB C 499 65.301 65.301 64.674 0.627 17518
4989 1 9 . 1 1 80 80 SER H H 499 8.804 8.804 8.599 0.205 17518
4990 1 9 . 1 1 81 81 THR N N 500 112.529 112.529 114.494 -1.965 17518
4991 1 9 . 1 1 81 81 THR HA H 500 3.820 3.820 3.859 -0.039 17518
4992 1 9 . 1 1 81 81 THR C C 500 174.378 174.378 175.070 -0.692 17518
4993 1 9 . 1 1 81 81 THR CA C 500 64.220 64.220 63.300 0.920 17518
4994 1 9 . 1 1 81 81 THR CB C 500 69.475 69.475 68.887 0.588 17518
4995 1 9 . 1 1 81 81 THR H H 500 7.559 7.559 8.083 -0.524 17518
4996 1 9 . 1 1 82 82 GLY N N 501 112.234 112.234 114.044 -1.810 17518
4997 1 9 . 1 1 82 82 GLY C C 501 174.342 174.342 172.263 2.079 17518
4998 1 9 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.630 -0.835 17518
4999 1 9 . 1 1 82 82 GLY H H 501 8.409 8.409 8.548 -0.139 17518
5000 1 9 . 1 1 83 83 THR N N 502 120.411 120.411 118.089 2.322 17518
5001 1 9 . 1 1 83 83 THR HA H 502 5.487 5.487 5.088 0.399 17518
5002 1 9 . 1 1 83 83 THR C C 502 174.798 174.798 173.215 1.583 17518
5003 1 9 . 1 1 83 83 THR CA C 502 62.497 62.497 60.880 1.617 17518
5004 1 9 . 1 1 83 83 THR CB C 502 69.978 69.978 71.559 -1.581 17518
5005 1 9 . 1 1 83 83 THR H H 502 8.729 8.729 8.130 0.599 17518
5006 1 9 . 1 1 84 84 SER N N 503 123.023 123.023 120.536 2.487 17518
5007 1 9 . 1 1 84 84 SER HA H 503 5.409 5.409 5.136 0.273 17518
5008 1 9 . 1 1 84 84 SER C C 503 171.976 171.976 173.240 -1.264 17518
5009 1 9 . 1 1 84 84 SER CA C 503 58.675 58.675 56.860 1.815 17518
5010 1 9 . 1 1 84 84 SER CB C 503 67.607 67.607 66.228 1.379 17518
5011 1 9 . 1 1 84 84 SER H H 503 9.121 9.121 9.075 0.046 17518
5012 1 9 . 1 1 85 85 THR N N 504 118.388 118.388 118.662 -0.274 17518
5013 1 9 . 1 1 85 85 THR HA H 504 5.241 5.241 5.240 0.001 17518
5014 1 9 . 1 1 85 85 THR C C 504 172.930 172.930 172.872 0.058 17518
5015 1 9 . 1 1 85 85 THR CA C 504 62.672 62.672 61.793 0.879 17518
5016 1 9 . 1 1 85 85 THR CB C 504 70.641 70.641 71.344 -0.703 17518
5017 1 9 . 1 1 85 85 THR H H 504 9.445 9.445 8.740 0.705 17518
5018 1 9 . 1 1 86 86 TYR N N 505 129.195 129.195 128.615 0.580 17518
5019 1 9 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.465 -0.356 17518
5020 1 9 . 1 1 86 86 TYR C C 505 173.063 173.063 173.819 -0.756 17518
5021 1 9 . 1 1 86 86 TYR CA C 505 57.280 57.280 56.078 1.202 17518
5022 1 9 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.092 -0.432 17518
5023 1 9 . 1 1 86 86 TYR H H 505 9.858 9.858 9.739 0.119 17518
5024 1 9 . 1 1 87 87 THR N N 506 124.861 124.861 124.400 0.461 17518
5025 1 9 . 1 1 87 87 THR HA H 506 4.288 4.288 4.917 -0.629 17518
5026 1 9 . 1 1 87 87 THR C C 506 171.472 171.472 172.169 -0.697 17518
5027 1 9 . 1 1 87 87 THR CA C 506 58.917 58.917 58.815 0.102 17518
5028 1 9 . 1 1 87 87 THR CB C 506 70.055 70.055 70.471 -0.416 17518
5029 1 9 . 1 1 87 87 THR H H 506 7.906 7.906 8.985 -1.079 17518
5030 1 9 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.709 -0.703 17518
5031 1 9 . 1 1 88 88 PRO C C 507 176.975 176.975 177.534 -0.559 17518
5032 1 9 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.343 0.655 17518
5033 1 9 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.478 -0.104 17518
5034 1 9 . 1 1 89 89 GLY N N 508 108.823 108.823 112.776 -3.953 17518
5035 1 9 . 1 1 89 89 GLY C C 508 173.757 173.757 174.801 -1.044 17518
5036 1 9 . 1 1 89 89 GLY CA C 508 44.078 44.078 45.873 -1.795 17518
5037 1 9 . 1 1 89 89 GLY H H 508 8.294 8.294 8.960 -0.666 17518
5038 1 9 . 1 1 90 90 ASN N N 509 117.850 117.850 118.114 -0.264 17518
5039 1 9 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.637 0.086 17518
5040 1 9 . 1 1 90 90 ASN C C 509 176.078 176.078 174.194 1.884 17518
5041 1 9 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.623 -0.717 17518
5042 1 9 . 1 1 90 90 ASN CB C 509 39.922 39.922 37.663 2.259 17518
5043 1 9 . 1 1 90 90 ASN H H 509 8.434 8.434 8.692 -0.258 17518
5044 1 9 . 1 1 91 91 SER N N 510 114.973 114.973 113.352 1.621 17518
5045 1 9 . 1 1 91 91 SER HA H 510 4.133 4.133 4.467 -0.334 17518
5046 1 9 . 1 1 91 91 SER C C 510 174.773 174.773 174.346 0.427 17518
5047 1 9 . 1 1 91 91 SER CA C 510 58.662 58.662 58.845 -0.183 17518
5048 1 9 . 1 1 91 91 SER CB C 510 62.209 62.209 63.593 -1.384 17518
5049 1 9 . 1 1 91 91 SER H H 510 8.819 8.819 8.682 0.137 17518
5050 1 9 . 1 1 92 92 GLY N N 511 108.552 108.552 110.526 -1.974 17518
5051 1 9 . 1 1 92 92 GLY C C 511 174.613 174.613 173.216 1.397 17518
5052 1 9 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.295 -0.032 17518
5053 1 9 . 1 1 92 92 GLY H H 511 8.472 8.472 8.353 0.119 17518
5054 1 9 . 1 1 93 93 ASN N N 512 119.035 119.035 117.941 1.094 17518
5055 1 9 . 1 1 93 93 ASN HA H 512 4.770 4.770 5.017 -0.247 17518
5056 1 9 . 1 1 93 93 ASN C C 512 174.627 174.627 175.562 -0.935 17518
5057 1 9 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.113 0.720 17518
5058 1 9 . 1 1 93 93 ASN CB C 512 39.771 39.771 40.721 -0.951 17518
5059 1 9 . 1 1 93 93 ASN H H 512 7.985 7.985 8.150 -0.165 17518
5060 1 9 . 1 1 94 94 ALA N N 513 123.854 123.854 124.888 -1.034 17518
5061 1 9 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.772 -0.168 17518
5062 1 9 . 1 1 94 94 ALA C C 513 178.511 178.511 176.439 2.072 17518
5063 1 9 . 1 1 94 94 ALA CA C 513 52.699 52.699 52.194 0.505 17518
5064 1 9 . 1 1 94 94 ALA CB C 513 20.408 20.408 19.929 0.479 17518
5065 1 9 . 1 1 94 94 ALA H H 513 8.442 8.442 8.582 -0.140 17518
5066 1 9 . 1 1 95 95 GLY N N 514 108.880 108.880 106.559 2.321 17518
5067 1 9 . 1 1 95 95 GLY C C 514 173.104 173.104 173.780 -0.676 17518
5068 1 9 . 1 1 95 95 GLY CA C 514 44.895 44.895 44.716 0.179 17518
5069 1 9 . 1 1 95 95 GLY H H 514 8.353 8.353 8.480 -0.127 17518
5070 1 9 . 1 1 96 96 THR N N 515 110.444 110.444 119.529 -9.085 17518
5071 1 9 . 1 1 96 96 THR HA H 515 4.504 4.504 4.512 -0.008 17518
5072 1 9 . 1 1 96 96 THR C C 515 173.214 173.214 173.409 -0.195 17518
5073 1 9 . 1 1 96 96 THR CA C 515 60.947 60.947 61.193 -0.246 17518
5074 1 9 . 1 1 96 96 THR CB C 515 72.111 72.111 70.394 1.717 17518
5075 1 9 . 1 1 96 96 THR H H 515 7.839 7.839 8.561 -0.722 17518
5076 1 9 . 1 1 97 97 ILE N N 516 126.770 126.770 124.144 2.626 17518
5077 1 9 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.118 -0.147 17518
5078 1 9 . 1 1 97 97 ILE C C 516 176.061 176.061 175.807 0.254 17518
5079 1 9 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.314 1.731 17518
5080 1 9 . 1 1 97 97 ILE CB C 516 40.742 40.742 40.904 -0.162 17518
5081 1 9 . 1 1 97 97 ILE H H 516 8.733 8.733 8.343 0.390 17518
5082 1 9 . 1 1 98 98 THR N N 517 121.307 121.307 119.447 1.860 17518
5083 1 9 . 1 1 98 98 THR HA H 517 4.693 4.693 4.741 -0.048 17518
5084 1 9 . 1 1 98 98 THR C C 517 173.622 173.622 173.571 0.051 17518
5085 1 9 . 1 1 98 98 THR CA C 517 59.692 59.692 59.947 -0.255 17518
5086 1 9 . 1 1 98 98 THR CB C 517 71.290 71.290 70.787 0.503 17518
5087 1 9 . 1 1 98 98 THR H H 517 9.270 9.270 9.098 0.172 17518
5088 1 9 . 1 1 99 99 SER N N 518 118.544 118.544 119.414 -0.870 17518
5089 1 9 . 1 1 99 99 SER HA H 518 4.548 4.548 4.650 -0.102 17518
5090 1 9 . 1 1 99 99 SER C C 518 175.405 175.405 173.822 1.583 17518
5091 1 9 . 1 1 99 99 SER CA C 518 59.662 59.662 58.211 1.451 17518
5092 1 9 . 1 1 99 99 SER CB C 518 63.836 63.836 62.775 1.061 17518
5093 1 9 . 1 1 99 99 SER H H 518 8.667 8.667 8.650 0.017 17518
5094 1 9 . 1 1 100 100 GLY N N 519 113.982 113.982 111.033 2.949 17518
5095 1 9 . 1 1 100 100 GLY C C 519 171.714 171.714 172.639 -0.925 17518
5096 1 9 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.331 -0.258 17518
5097 1 9 . 1 1 100 100 GLY H H 519 8.443 8.443 7.520 0.923 17518
5098 1 9 . 1 1 101 101 ALA N N 520 120.741 120.741 125.551 -4.810 17518
5099 1 9 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.574 -0.967 17518
5100 1 9 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.937 -1.474 17518
5101 1 9 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.368 -1.237 17518
5102 1 9 . 1 1 101 101 ALA H H 520 7.908 7.908 8.206 -0.298 17518
5103 1 9 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.348 -0.306 17518
5104 1 9 . 1 1 102 102 PRO C C 521 175.467 175.467 176.269 -0.802 17518
5105 1 9 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.737 -0.039 17518
5106 1 9 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.231 -0.367 17518
5107 1 9 . 1 1 103 103 ALA N N 522 122.930 122.930 125.832 -2.902 17518
5108 1 9 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.434 -0.321 17518
5109 1 9 . 1 1 103 103 ALA C C 522 177.009 177.009 177.705 -0.696 17518
5110 1 9 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.591 0.365 17518
5111 1 9 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.167 1.522 17518
5112 1 9 . 1 1 103 103 ALA H H 522 7.993 7.993 8.365 -0.372 17518
5113 1 10 . 1 1 2 2 GLY C C 421 174.167 174.167 173.470 0.697 17518
5114 1 10 . 1 1 2 2 GLY CA C 421 45.259 45.259 45.721 -0.462 17518
5115 1 10 . 1 1 3 3 THR N N 422 113.380 113.380 114.229 -0.849 17518
5116 1 10 . 1 1 3 3 THR HA H 422 4.348 4.348 4.371 -0.023 17518
5117 1 10 . 1 1 3 3 THR C C 422 174.773 174.773 174.746 0.027 17518
5118 1 10 . 1 1 3 3 THR CA C 422 61.357 61.357 61.606 -0.249 17518
5119 1 10 . 1 1 3 3 THR CB C 422 69.791 69.791 68.917 0.874 17518
5120 1 10 . 1 1 3 3 THR H H 422 8.099 8.099 8.438 -0.339 17518
5121 1 10 . 1 1 4 4 GLY N N 423 113.124 113.124 110.005 3.119 17518
5122 1 10 . 1 1 4 4 GLY C C 423 173.909 173.909 173.995 -0.086 17518
5123 1 10 . 1 1 4 4 GLY CA C 423 45.058 45.058 45.026 0.031 17518
5124 1 10 . 1 1 4 4 GLY H H 423 8.770 8.770 7.856 0.914 17518
5125 1 10 . 1 1 5 5 ASN N N 424 121.226 121.226 118.930 2.296 17518
5126 1 10 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.718 -0.144 17518
5127 1 10 . 1 1 5 5 ASN C C 424 174.450 174.450 173.923 0.527 17518
5128 1 10 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.365 0.872 17518
5129 1 10 . 1 1 5 5 ASN CB C 424 38.520 38.520 41.484 -2.964 17518
5130 1 10 . 1 1 5 5 ASN H H 424 8.988 8.988 8.366 0.622 17518
5131 1 10 . 1 1 6 6 LYS N N 425 119.587 119.587 120.809 -1.222 17518
5132 1 10 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.530 0.599 17518
5133 1 10 . 1 1 6 6 LYS C C 425 176.281 176.281 174.612 1.669 17518
5134 1 10 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.146 -0.752 17518
5135 1 10 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.602 -0.154 17518
5136 1 10 . 1 1 6 6 LYS H H 425 8.354 8.354 8.385 -0.031 17518
5137 1 10 . 1 1 7 7 VAL N N 426 124.203 124.203 126.169 -1.966 17518
5138 1 10 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.965 -0.503 17518
5139 1 10 . 1 1 7 7 VAL C C 426 174.564 174.564 174.636 -0.072 17518
5140 1 10 . 1 1 7 7 VAL CA C 426 61.369 61.369 61.062 0.307 17518
5141 1 10 . 1 1 7 7 VAL CB C 426 34.432 34.432 35.292 -0.860 17518
5142 1 10 . 1 1 7 7 VAL H H 426 8.774 8.774 8.953 -0.179 17518
5143 1 10 . 1 1 8 8 THR N N 427 125.363 125.363 123.790 1.573 17518
5144 1 10 . 1 1 8 8 THR HA H 427 5.326 5.326 5.260 0.066 17518
5145 1 10 . 1 1 8 8 THR C C 427 173.108 173.108 172.982 0.126 17518
5146 1 10 . 1 1 8 8 THR CA C 427 61.752 61.752 61.677 0.075 17518
5147 1 10 . 1 1 8 8 THR CB C 427 69.860 69.860 70.440 -0.580 17518
5148 1 10 . 1 1 8 8 THR H H 427 8.851 8.851 9.079 -0.228 17518
5149 1 10 . 1 1 9 9 ILE N N 428 127.015 127.015 127.095 -0.080 17518
5150 1 10 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.778 -0.122 17518
5151 1 10 . 1 1 9 9 ILE C C 428 175.404 175.404 174.286 1.118 17518
5152 1 10 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.213 -0.333 17518
5153 1 10 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.570 1.621 17518
5154 1 10 . 1 1 9 9 ILE H H 428 8.628 8.628 9.236 -0.608 17518
5155 1 10 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.381 -0.212 17518
5156 1 10 . 1 1 10 10 TYR C C 429 174.161 174.161 174.874 -0.713 17518
5157 1 10 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.352 2.899 17518
5158 1 10 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.312 1.071 17518
5159 1 10 . 1 1 10 10 TYR H H 429 9.069 9.069 9.192 -0.123 17518
5160 1 10 . 1 1 11 11 TYR N N 430 125.905 125.905 125.957 -0.052 17518
5161 1 10 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.685 -0.695 17518
5162 1 10 . 1 1 11 11 TYR C C 430 173.359 173.359 174.183 -0.824 17518
5163 1 10 . 1 1 11 11 TYR CA C 430 56.630 56.630 54.550 2.080 17518
5164 1 10 . 1 1 11 11 TYR CB C 430 42.942 42.942 42.157 0.785 17518
5165 1 10 . 1 1 11 11 TYR H H 430 9.500 9.500 8.991 0.509 17518
5166 1 10 . 1 1 12 12 LYS N N 431 131.688 131.688 126.174 5.514 17518
5167 1 10 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.538 0.824 17518
5168 1 10 . 1 1 12 12 LYS C C 431 172.929 172.929 174.527 -1.598 17518
5169 1 10 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.344 0.523 17518
5170 1 10 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.318 0.853 17518
5171 1 10 . 1 1 12 12 LYS H H 431 8.410 8.410 7.938 0.472 17518
5172 1 10 . 1 1 13 13 LYS N N 432 125.124 125.124 125.320 -0.196 17518
5173 1 10 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.823 0.049 17518
5174 1 10 . 1 1 13 13 LYS C C 432 180.107 180.107 176.132 3.975 17518
5175 1 10 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.611 -4.103 17518
5176 1 10 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.377 -0.723 17518
5177 1 10 . 1 1 14 14 GLY N N 433 112.761 112.761 112.527 0.234 17518
5178 1 10 . 1 1 14 14 GLY C C 433 174.180 174.180 174.350 -0.170 17518
5179 1 10 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.272 1.070 17518
5180 1 10 . 1 1 14 14 GLY H H 433 7.585 7.585 8.657 -1.072 17518
5181 1 10 . 1 1 15 15 PHE N N 434 121.529 121.529 119.166 2.363 17518
5182 1 10 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.570 0.121 17518
5183 1 10 . 1 1 15 15 PHE C C 434 175.899 175.899 174.443 1.456 17518
5184 1 10 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.331 -2.174 17518
5185 1 10 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.137 -1.665 17518
5186 1 10 . 1 1 15 15 PHE H H 434 8.454 8.454 7.871 0.583 17518
5187 1 10 . 1 1 16 16 ASN N N 435 117.583 117.583 112.813 4.770 17518
5188 1 10 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.659 -0.260 17518
5189 1 10 . 1 1 16 16 ASN C C 435 176.259 176.259 174.221 2.038 17518
5190 1 10 . 1 1 16 16 ASN CA C 435 56.521 56.521 53.517 3.004 17518
5191 1 10 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.782 0.584 17518
5192 1 10 . 1 1 16 16 ASN H H 435 8.513 8.513 8.198 0.315 17518
5193 1 10 . 1 1 17 17 SER N N 436 112.889 112.889 116.340 -3.451 17518
5194 1 10 . 1 1 17 17 SER HA H 436 4.798 4.798 4.792 0.006 17518
5195 1 10 . 1 1 17 17 SER C C 436 171.151 171.151 171.752 -0.601 17518
5196 1 10 . 1 1 17 17 SER CA C 436 53.721 53.721 57.303 -3.582 17518
5197 1 10 . 1 1 17 17 SER CB C 436 63.834 63.834 64.010 -0.175 17518
5198 1 10 . 1 1 17 17 SER H H 436 8.315 8.315 8.181 0.134 17518
5199 1 10 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.551 0.011 17518
5200 1 10 . 1 1 18 18 PRO C C 437 175.812 175.812 175.354 0.458 17518
5201 1 10 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.817 -0.200 17518
5202 1 10 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.696 0.078 17518
5203 1 10 . 1 1 19 19 TYR N N 438 122.060 122.060 118.906 3.154 17518
5204 1 10 . 1 1 19 19 TYR HA H 438 4.830 4.830 5.188 -0.358 17518
5205 1 10 . 1 1 19 19 TYR C C 438 174.732 174.732 175.326 -0.594 17518
5206 1 10 . 1 1 19 19 TYR CA C 438 56.729 56.729 57.135 -0.406 17518
5207 1 10 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.228 -0.470 17518
5208 1 10 . 1 1 19 19 TYR H H 438 9.072 9.072 8.662 0.410 17518
5209 1 10 . 1 1 20 20 ILE N N 439 118.018 118.018 120.470 -2.452 17518
5210 1 10 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.686 0.302 17518
5211 1 10 . 1 1 20 20 ILE C C 439 171.341 171.341 174.121 -2.780 17518
5212 1 10 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.424 -0.851 17518
5213 1 10 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.704 -0.046 17518
5214 1 10 . 1 1 20 20 ILE H H 439 9.164 9.164 9.145 0.019 17518
5215 1 10 . 1 1 21 21 HIS N N 440 133.346 133.346 130.179 3.167 17518
5216 1 10 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.814 0.561 17518
5217 1 10 . 1 1 21 21 HIS C C 440 174.947 174.947 173.239 1.708 17518
5218 1 10 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.169 -0.368 17518
5219 1 10 . 1 1 21 21 HIS CB C 440 35.001 35.001 30.886 4.115 17518
5220 1 10 . 1 1 21 21 HIS H H 440 8.843 8.843 8.529 0.314 17518
5221 1 10 . 1 1 22 22 TYR N N 441 121.863 121.863 122.540 -0.677 17518
5222 1 10 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.633 0.424 17518
5223 1 10 . 1 1 22 22 TYR C C 441 173.567 173.567 173.236 0.331 17518
5224 1 10 . 1 1 22 22 TYR CA C 441 56.693 56.693 55.053 1.640 17518
5225 1 10 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.743 1.053 17518
5226 1 10 . 1 1 22 22 TYR H H 441 8.231 8.231 7.564 0.667 17518
5227 1 10 . 1 1 23 23 ARG N N 442 116.788 116.788 120.541 -3.753 17518
5228 1 10 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.683 -0.052 17518
5229 1 10 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.761 -0.402 17518
5230 1 10 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.490 -1.176 17518
5231 1 10 . 1 1 23 23 ARG H H 442 8.456 8.456 9.049 -0.593 17518
5232 1 10 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.480 0.027 17518
5233 1 10 . 1 1 24 24 PRO C C 443 176.258 176.258 175.987 0.271 17518
5234 1 10 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.950 0.294 17518
5235 1 10 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.327 -0.130 17518
5236 1 10 . 1 1 25 25 ALA N N 444 125.666 125.666 126.039 -0.373 17518
5237 1 10 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.966 -0.008 17518
5238 1 10 . 1 1 25 25 ALA C C 444 179.221 179.221 177.534 1.687 17518
5239 1 10 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.290 0.890 17518
5240 1 10 . 1 1 25 25 ALA CB C 444 18.420 18.420 17.942 0.478 17518
5241 1 10 . 1 1 25 25 ALA H H 444 8.230 8.230 8.270 -0.040 17518
5242 1 10 . 1 1 26 26 GLY N N 445 112.217 112.217 110.306 1.911 17518
5243 1 10 . 1 1 26 26 GLY C C 445 174.734 174.734 174.410 0.324 17518
5244 1 10 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.633 1.030 17518
5245 1 10 . 1 1 26 26 GLY H H 445 8.591 8.591 7.929 0.662 17518
5246 1 10 . 1 1 27 27 GLY N N 446 109.489 109.489 109.477 0.012 17518
5247 1 10 . 1 1 27 27 GLY C C 446 173.379 173.379 172.843 0.536 17518
5248 1 10 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.321 -0.203 17518
5249 1 10 . 1 1 27 27 GLY H H 446 8.380 8.380 8.455 -0.075 17518
5250 1 10 . 1 1 28 28 SER N N 447 117.275 117.275 114.593 2.682 17518
5251 1 10 . 1 1 28 28 SER HA H 447 4.637 4.637 4.578 0.059 17518
5252 1 10 . 1 1 28 28 SER C C 447 173.759 173.759 173.309 0.450 17518
5253 1 10 . 1 1 28 28 SER CA C 447 57.410 57.410 57.262 0.148 17518
5254 1 10 . 1 1 28 28 SER CB C 447 65.022 65.022 65.323 -0.301 17518
5255 1 10 . 1 1 28 28 SER H H 447 8.585 8.585 8.221 0.364 17518
5256 1 10 . 1 1 29 29 TRP N N 448 123.426 123.426 122.445 0.981 17518
5257 1 10 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.361 0.032 17518
5258 1 10 . 1 1 29 29 TRP C C 448 178.997 178.997 177.321 1.676 17518
5259 1 10 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.922 0.244 17518
5260 1 10 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.364 0.242 17518
5261 1 10 . 1 1 29 29 TRP H H 448 8.346 8.346 8.465 -0.119 17518
5262 1 10 . 1 1 30 30 THR N N 449 111.168 111.168 115.750 -4.582 17518
5263 1 10 . 1 1 30 30 THR HA H 449 3.978 3.978 4.458 -0.480 17518
5264 1 10 . 1 1 30 30 THR C C 449 174.707 174.707 174.113 0.594 17518
5265 1 10 . 1 1 30 30 THR CA C 449 61.317 61.317 61.175 0.142 17518
5266 1 10 . 1 1 30 30 THR CB C 449 70.526 70.526 69.407 1.119 17518
5267 1 10 . 1 1 30 30 THR H H 449 7.888 7.888 8.300 -0.412 17518
5268 1 10 . 1 1 31 31 ALA N N 450 122.982 122.982 124.055 -1.073 17518
5269 1 10 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.271 0.128 17518
5270 1 10 . 1 1 31 31 ALA C C 450 178.443 178.443 176.479 1.964 17518
5271 1 10 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.546 0.338 17518
5272 1 10 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.302 -0.241 17518
5273 1 10 . 1 1 31 31 ALA H H 450 8.383 8.383 8.412 -0.029 17518
5274 1 10 . 1 1 32 32 ALA N N 451 129.780 129.780 127.077 2.703 17518
5275 1 10 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.274 -0.416 17518
5276 1 10 . 1 1 32 32 ALA C C 451 175.997 175.997 175.987 0.010 17518
5277 1 10 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.185 1.626 17518
5278 1 10 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.453 -2.207 17518
5279 1 10 . 1 1 32 32 ALA H H 451 8.778 8.778 7.989 0.789 17518
5280 1 10 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.325 -0.481 17518
5281 1 10 . 1 1 33 33 PRO C C 452 173.297 173.297 177.058 -3.761 17518
5282 1 10 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.419 1.313 17518
5283 1 10 . 1 1 33 33 PRO CB C 452 33.646 33.646 32.702 0.944 17518
5284 1 10 . 1 1 34 34 GLY N N 453 112.150 112.150 113.242 -1.092 17518
5285 1 10 . 1 1 34 34 GLY C C 453 174.011 174.011 174.070 -0.059 17518
5286 1 10 . 1 1 34 34 GLY CA C 453 43.995 43.995 46.600 -2.605 17518
5287 1 10 . 1 1 34 34 GLY H H 453 8.685 8.685 8.056 0.629 17518
5288 1 10 . 1 1 35 35 VAL N N 454 123.276 123.276 119.034 4.242 17518
5289 1 10 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.448 -0.102 17518
5290 1 10 . 1 1 35 35 VAL C C 454 174.782 174.782 174.536 0.246 17518
5291 1 10 . 1 1 35 35 VAL CA C 454 60.959 60.959 60.686 0.273 17518
5292 1 10 . 1 1 35 35 VAL CB C 454 34.857 34.857 36.403 -1.546 17518
5293 1 10 . 1 1 35 35 VAL H H 454 9.287 9.287 8.033 1.254 17518
5294 1 10 . 1 1 36 36 LYS N N 455 128.135 128.135 126.768 1.367 17518
5295 1 10 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.168 -1.107 17518
5296 1 10 . 1 1 36 36 LYS C C 455 176.438 176.438 176.198 0.240 17518
5297 1 10 . 1 1 36 36 LYS CA C 455 57.223 57.223 55.941 1.282 17518
5298 1 10 . 1 1 36 36 LYS CB C 455 32.619 32.619 32.002 0.618 17518
5299 1 10 . 1 1 36 36 LYS H H 455 8.443 8.443 8.414 0.029 17518
5300 1 10 . 1 1 37 37 MET N N 456 124.850 124.850 127.140 -2.290 17518
5301 1 10 . 1 1 37 37 MET HA H 456 4.207 4.207 4.092 0.115 17518
5302 1 10 . 1 1 37 37 MET C C 456 175.590 175.590 176.288 -0.698 17518
5303 1 10 . 1 1 37 37 MET CA C 456 56.409 56.409 57.618 -1.209 17518
5304 1 10 . 1 1 37 37 MET CB C 456 34.978 34.978 31.805 3.173 17518
5305 1 10 . 1 1 37 37 MET H H 456 8.121 8.121 8.472 -0.351 17518
5306 1 10 . 1 1 38 38 GLN N N 457 121.555 121.555 122.562 -1.007 17518
5307 1 10 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.085 0.308 17518
5308 1 10 . 1 1 38 38 GLN C C 457 175.737 175.737 175.996 -0.259 17518
5309 1 10 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.086 -1.303 17518
5310 1 10 . 1 1 38 38 GLN CB C 457 30.307 30.307 28.867 1.440 17518
5311 1 10 . 1 1 38 38 GLN H H 457 8.441 8.441 8.655 -0.214 17518
5312 1 10 . 1 1 39 39 ASP N N 458 121.629 121.629 118.890 2.739 17518
5313 1 10 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.641 0.090 17518
5314 1 10 . 1 1 39 39 ASP C C 458 176.733 176.733 175.207 1.526 17518
5315 1 10 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.478 1.779 17518
5316 1 10 . 1 1 39 39 ASP CB C 458 40.358 40.358 41.023 -0.665 17518
5317 1 10 . 1 1 39 39 ASP H H 458 8.720 8.720 8.421 0.299 17518
5318 1 10 . 1 1 40 40 ALA N N 459 122.646 122.646 125.439 -2.793 17518
5319 1 10 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.635 -0.343 17518
5320 1 10 . 1 1 40 40 ALA C C 459 175.201 175.201 177.712 -2.511 17518
5321 1 10 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.285 0.271 17518
5322 1 10 . 1 1 40 40 ALA CB C 459 21.948 21.948 20.049 1.899 17518
5323 1 10 . 1 1 40 40 ALA H H 459 8.423 8.423 8.851 -0.428 17518
5324 1 10 . 1 1 41 41 GLU N N 460 120.190 120.190 127.227 -7.037 17518
5325 1 10 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.956 0.351 17518
5326 1 10 . 1 1 41 41 GLU C C 460 174.722 174.722 178.194 -3.472 17518
5327 1 10 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.218 -0.699 17518
5328 1 10 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.262 -1.926 17518
5329 1 10 . 1 1 41 41 GLU H H 460 10.341 10.341 8.896 1.445 17518
5330 1 10 . 1 1 42 42 ILE N N 461 119.473 119.473 118.866 0.607 17518
5331 1 10 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.529 0.782 17518
5332 1 10 . 1 1 42 42 ILE C C 461 174.959 174.959 175.948 -0.989 17518
5333 1 10 . 1 1 42 42 ILE CA C 461 58.966 58.966 64.172 -5.206 17518
5334 1 10 . 1 1 42 42 ILE CB C 461 39.745 39.745 38.028 1.717 17518
5335 1 10 . 1 1 42 42 ILE H H 461 6.466 6.466 7.770 -1.304 17518
5336 1 10 . 1 1 43 43 SER N N 462 121.292 121.292 111.302 9.990 17518
5337 1 10 . 1 1 43 43 SER HA H 462 4.297 4.297 4.513 -0.216 17518
5338 1 10 . 1 1 43 43 SER C C 462 175.624 175.624 173.767 1.857 17518
5339 1 10 . 1 1 43 43 SER CA C 462 60.112 60.112 58.422 1.690 17518
5340 1 10 . 1 1 43 43 SER CB C 462 63.116 63.116 62.932 0.184 17518
5341 1 10 . 1 1 43 43 SER H H 462 8.584 8.584 7.576 1.008 17518
5342 1 10 . 1 1 44 44 GLY N N 463 111.896 111.896 107.663 4.233 17518
5343 1 10 . 1 1 44 44 GLY C C 463 173.823 173.823 173.630 0.193 17518
5344 1 10 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.595 -0.716 17518
5345 1 10 . 1 1 44 44 GLY H H 463 8.623 8.623 8.227 0.396 17518
5346 1 10 . 1 1 45 45 TYR N N 464 116.379 116.379 119.767 -3.388 17518
5347 1 10 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.649 1.049 17518
5348 1 10 . 1 1 45 45 TYR C C 464 175.693 175.693 173.277 2.416 17518
5349 1 10 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.928 -0.316 17518
5350 1 10 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.557 -0.633 17518
5351 1 10 . 1 1 45 45 TYR H H 464 7.803 7.803 8.081 -0.278 17518
5352 1 10 . 1 1 46 46 ALA N N 465 126.206 126.206 120.291 5.915 17518
5353 1 10 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.403 -0.066 17518
5354 1 10 . 1 1 46 46 ALA C C 465 176.129 176.129 175.810 0.319 17518
5355 1 10 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.758 0.698 17518
5356 1 10 . 1 1 46 46 ALA CB C 465 24.346 24.346 21.987 2.359 17518
5357 1 10 . 1 1 46 46 ALA H H 465 9.910 9.910 9.155 0.755 17518
5358 1 10 . 1 1 47 47 LYS N N 466 120.226 120.226 121.024 -0.798 17518
5359 1 10 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.069 0.603 17518
5360 1 10 . 1 1 47 47 LYS C C 466 173.880 173.880 174.735 -0.855 17518
5361 1 10 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.288 0.118 17518
5362 1 10 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.302 0.858 17518
5363 1 10 . 1 1 47 47 LYS H H 466 9.373 9.373 8.337 1.036 17518
5364 1 10 . 1 1 48 48 ILE N N 467 120.505 120.505 120.986 -0.481 17518
5365 1 10 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.512 -0.109 17518
5366 1 10 . 1 1 48 48 ILE C C 467 171.247 171.247 173.164 -1.917 17518
5367 1 10 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.457 -0.075 17518
5368 1 10 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.840 -0.306 17518
5369 1 10 . 1 1 48 48 ILE H H 467 8.085 8.085 8.758 -0.673 17518
5370 1 10 . 1 1 49 49 THR N N 468 122.247 122.247 125.028 -2.781 17518
5371 1 10 . 1 1 49 49 THR HA H 468 5.301 5.301 5.284 0.017 17518
5372 1 10 . 1 1 49 49 THR C C 468 173.694 173.694 173.738 -0.044 17518
5373 1 10 . 1 1 49 49 THR CA C 468 61.871 61.871 60.842 1.030 17518
5374 1 10 . 1 1 49 49 THR CB C 468 70.649 70.649 69.720 0.929 17518
5375 1 10 . 1 1 49 49 THR H H 468 7.954 7.954 8.222 -0.268 17518
5376 1 10 . 1 1 50 50 VAL N N 469 126.076 126.076 124.376 1.700 17518
5377 1 10 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.095 0.016 17518
5378 1 10 . 1 1 50 50 VAL C C 469 173.826 173.826 173.727 0.099 17518
5379 1 10 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.260 -0.061 17518
5380 1 10 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.196 -0.147 17518
5381 1 10 . 1 1 50 50 VAL H H 469 9.242 9.242 9.019 0.223 17518
5382 1 10 . 1 1 51 51 ASP N N 470 126.346 126.346 124.454 1.892 17518
5383 1 10 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.761 0.152 17518
5384 1 10 . 1 1 51 51 ASP C C 470 177.013 177.013 176.257 0.756 17518
5385 1 10 . 1 1 51 51 ASP CA C 470 53.014 53.014 53.718 -0.704 17518
5386 1 10 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.084 -0.165 17518
5387 1 10 . 1 1 51 51 ASP H H 470 8.476 8.476 8.488 -0.012 17518
5388 1 10 . 1 1 52 52 ILE N N 471 118.935 118.935 116.792 2.143 17518
5389 1 10 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.545 -0.007 17518
5390 1 10 . 1 1 52 52 ILE C C 471 176.991 176.991 176.748 0.243 17518
5391 1 10 . 1 1 52 52 ILE CA C 471 59.992 59.992 60.881 -0.889 17518
5392 1 10 . 1 1 52 52 ILE CB C 471 38.002 38.002 40.145 -2.143 17518
5393 1 10 . 1 1 52 52 ILE H H 471 8.728 8.728 8.231 0.497 17518
5394 1 10 . 1 1 53 53 GLY N N 472 114.498 114.498 110.703 3.795 17518
5395 1 10 . 1 1 53 53 GLY C C 472 174.971 174.971 175.163 -0.192 17518
5396 1 10 . 1 1 53 53 GLY CA C 472 47.668 47.668 46.728 0.940 17518
5397 1 10 . 1 1 53 53 GLY H H 472 9.078 9.078 8.035 1.043 17518
5398 1 10 . 1 1 54 54 SER N N 473 120.546 120.546 121.337 -0.791 17518
5399 1 10 . 1 1 54 54 SER HA H 473 4.426 4.426 4.475 -0.049 17518
5400 1 10 . 1 1 54 54 SER C C 473 174.975 174.975 174.277 0.698 17518
5401 1 10 . 1 1 54 54 SER CA C 473 58.417 58.417 57.055 1.362 17518
5402 1 10 . 1 1 54 54 SER CB C 473 63.632 63.632 63.698 -0.066 17518
5403 1 10 . 1 1 54 54 SER H H 473 8.808 8.808 8.307 0.501 17518
5404 1 10 . 1 1 55 55 ALA N N 474 125.402 125.402 124.580 0.822 17518
5405 1 10 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.203 0.163 17518
5406 1 10 . 1 1 55 55 ALA C C 474 176.116 176.116 177.633 -1.517 17518
5407 1 10 . 1 1 55 55 ALA CA C 474 52.372 52.372 52.851 -0.479 17518
5408 1 10 . 1 1 55 55 ALA CB C 474 20.315 20.315 19.430 0.885 17518
5409 1 10 . 1 1 55 55 ALA H H 474 7.738 7.738 7.317 0.421 17518
5410 1 10 . 1 1 56 56 SER N N 475 110.149 110.149 117.766 -7.617 17518
5411 1 10 . 1 1 56 56 SER HA H 475 4.539 4.539 4.247 0.292 17518
5412 1 10 . 1 1 56 56 SER C C 475 173.662 173.662 174.034 -0.372 17518
5413 1 10 . 1 1 56 56 SER CA C 475 58.121 58.121 60.030 -1.909 17518
5414 1 10 . 1 1 56 56 SER CB C 475 65.000 65.000 63.505 1.495 17518
5415 1 10 . 1 1 56 56 SER H H 475 8.756 8.756 8.730 0.026 17518
5416 1 10 . 1 1 57 57 GLN N N 476 117.023 117.023 116.603 0.420 17518
5417 1 10 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.851 0.207 17518
5418 1 10 . 1 1 57 57 GLN C C 476 173.042 173.042 173.325 -0.283 17518
5419 1 10 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.123 -0.899 17518
5420 1 10 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.634 -0.025 17518
5421 1 10 . 1 1 57 57 GLN H H 476 7.139 7.139 7.426 -0.287 17518
5422 1 10 . 1 1 58 58 LEU N N 477 121.156 121.156 121.136 0.020 17518
5423 1 10 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.027 -0.281 17518
5424 1 10 . 1 1 58 58 LEU C C 477 173.922 173.922 174.180 -0.258 17518
5425 1 10 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.418 -0.910 17518
5426 1 10 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.407 0.873 17518
5427 1 10 . 1 1 58 58 LEU H H 477 9.149 9.149 9.223 -0.074 17518
5428 1 10 . 1 1 59 59 GLU N N 478 126.375 126.375 126.095 0.280 17518
5429 1 10 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.518 -0.162 17518
5430 1 10 . 1 1 59 59 GLU C C 478 175.481 175.481 175.115 0.366 17518
5431 1 10 . 1 1 59 59 GLU CA C 478 54.597 54.597 55.150 -0.553 17518
5432 1 10 . 1 1 59 59 GLU CB C 478 32.759 32.759 32.963 -0.204 17518
5433 1 10 . 1 1 59 59 GLU H H 478 8.558 8.558 9.037 -0.479 17518
5434 1 10 . 1 1 60 60 ALA N N 479 124.321 124.321 127.886 -3.565 17518
5435 1 10 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.926 -0.134 17518
5436 1 10 . 1 1 60 60 ALA C C 479 174.955 174.955 175.220 -0.265 17518
5437 1 10 . 1 1 60 60 ALA CA C 479 51.141 51.141 51.147 -0.006 17518
5438 1 10 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.977 1.117 17518
5439 1 10 . 1 1 60 60 ALA H H 479 9.614 9.614 9.455 0.159 17518
5440 1 10 . 1 1 61 61 ALA N N 480 120.954 120.954 121.141 -0.187 17518
5441 1 10 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.212 -0.418 17518
5442 1 10 . 1 1 61 61 ALA C C 480 174.782 174.782 174.747 0.035 17518
5443 1 10 . 1 1 61 61 ALA CA C 480 51.257 51.257 50.485 0.772 17518
5444 1 10 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.836 0.378 17518
5445 1 10 . 1 1 61 61 ALA H H 480 9.346 9.346 9.254 0.092 17518
5446 1 10 . 1 1 62 62 PHE N N 481 117.021 117.021 119.583 -2.562 17518
5447 1 10 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.940 0.944 17518
5448 1 10 . 1 1 62 62 PHE C C 481 175.044 175.044 173.146 1.898 17518
5449 1 10 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.058 1.530 17518
5450 1 10 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.796 0.467 17518
5451 1 10 . 1 1 62 62 PHE H H 481 8.351 8.351 8.776 -0.425 17518
5452 1 10 . 1 1 63 63 ASN N N 482 116.362 116.362 119.890 -3.528 17518
5453 1 10 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.499 0.609 17518
5454 1 10 . 1 1 63 63 ASN C C 482 172.088 172.088 173.623 -1.535 17518
5455 1 10 . 1 1 63 63 ASN CA C 482 53.710 53.710 51.996 1.714 17518
5456 1 10 . 1 1 63 63 ASN CB C 482 41.348 41.348 41.249 0.099 17518
5457 1 10 . 1 1 63 63 ASN H H 482 9.077 9.077 8.543 0.534 17518
5458 1 10 . 1 1 64 64 ASP N N 483 118.002 118.002 120.451 -2.449 17518
5459 1 10 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.395 -0.211 17518
5460 1 10 . 1 1 64 64 ASP C C 483 177.271 177.271 177.081 0.190 17518
5461 1 10 . 1 1 64 64 ASP CA C 483 52.301 52.301 51.802 0.499 17518
5462 1 10 . 1 1 64 64 ASP CB C 483 40.887 40.887 38.328 2.559 17518
5463 1 10 . 1 1 64 64 ASP H H 483 7.482 7.482 8.060 -0.578 17518
5464 1 10 . 1 1 65 65 GLY N N 484 110.602 110.602 107.919 2.683 17518
5465 1 10 . 1 1 65 65 GLY C C 484 173.156 173.156 174.409 -1.253 17518
5466 1 10 . 1 1 65 65 GLY CA C 484 45.615 45.615 46.001 -0.386 17518
5467 1 10 . 1 1 65 65 GLY H H 484 8.696 8.696 8.498 0.198 17518
5468 1 10 . 1 1 66 66 ASN N N 485 120.867 120.867 116.705 4.162 17518
5469 1 10 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.802 -0.098 17518
5470 1 10 . 1 1 66 66 ASN C C 485 174.442 174.442 175.553 -1.111 17518
5471 1 10 . 1 1 66 66 ASN CA C 485 52.311 52.311 53.409 -1.098 17518
5472 1 10 . 1 1 66 66 ASN CB C 485 39.491 39.491 41.073 -1.582 17518
5473 1 10 . 1 1 66 66 ASN H H 485 8.371 8.371 8.006 0.365 17518
5474 1 10 . 1 1 67 67 ASN N N 486 113.518 113.518 114.205 -0.687 17518
5475 1 10 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.715 -0.537 17518
5476 1 10 . 1 1 67 67 ASN C C 486 173.845 173.845 173.728 0.117 17518
5477 1 10 . 1 1 67 67 ASN CA C 486 54.486 54.486 53.978 0.508 17518
5478 1 10 . 1 1 67 67 ASN CB C 486 38.267 38.267 40.523 -2.256 17518
5479 1 10 . 1 1 67 67 ASN H H 486 8.700 8.700 8.763 -0.063 17518
5480 1 10 . 1 1 68 68 ASN N N 487 118.464 118.464 121.496 -3.032 17518
5481 1 10 . 1 1 68 68 ASN HA H 487 5.058 5.058 4.797 0.261 17518
5482 1 10 . 1 1 68 68 ASN C C 487 173.449 173.449 174.198 -0.749 17518
5483 1 10 . 1 1 68 68 ASN CA C 487 53.268 53.268 54.103 -0.835 17518
5484 1 10 . 1 1 68 68 ASN CB C 487 38.813 38.813 38.441 0.372 17518
5485 1 10 . 1 1 68 68 ASN H H 487 7.975 7.975 8.387 -0.412 17518
5486 1 10 . 1 1 69 69 TRP N N 488 120.817 120.817 123.428 -2.611 17518
5487 1 10 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.966 -0.144 17518
5488 1 10 . 1 1 69 69 TRP C C 488 176.268 176.268 176.026 0.242 17518
5489 1 10 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.324 1.854 17518
5490 1 10 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.884 0.447 17518
5491 1 10 . 1 1 69 69 TRP H H 488 8.771 8.771 8.222 0.549 17518
5492 1 10 . 1 1 70 70 ASP N N 489 122.179 122.179 120.031 2.148 17518
5493 1 10 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.266 -0.070 17518
5494 1 10 . 1 1 70 70 ASP C C 489 175.441 175.441 174.523 0.918 17518
5495 1 10 . 1 1 70 70 ASP CA C 489 53.345 53.345 53.855 -0.510 17518
5496 1 10 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.259 -1.291 17518
5497 1 10 . 1 1 70 70 ASP H H 489 9.795 9.795 9.065 0.730 17518
5498 1 10 . 1 1 71 71 SER N N 490 117.314 117.314 119.082 -1.768 17518
5499 1 10 . 1 1 71 71 SER HA H 490 5.084 5.084 4.847 0.237 17518
5500 1 10 . 1 1 71 71 SER C C 490 175.277 175.277 174.217 1.060 17518
5501 1 10 . 1 1 71 71 SER CA C 490 56.099 56.099 55.728 0.371 17518
5502 1 10 . 1 1 71 71 SER CB C 490 66.550 66.550 66.766 -0.216 17518
5503 1 10 . 1 1 71 71 SER H H 490 9.238 9.238 7.999 1.239 17518
5504 1 10 . 1 1 72 72 ASN N N 491 122.911 122.911 118.607 4.304 17518
5505 1 10 . 1 1 72 72 ASN HA H 491 4.367 4.367 3.724 0.643 17518
5506 1 10 . 1 1 72 72 ASN C C 491 176.857 176.857 175.491 1.366 17518
5507 1 10 . 1 1 72 72 ASN CA C 491 53.192 53.192 55.340 -2.148 17518
5508 1 10 . 1 1 72 72 ASN CB C 491 35.574 35.574 38.221 -2.647 17518
5509 1 10 . 1 1 72 72 ASN H H 491 8.536 8.536 8.328 0.208 17518
5510 1 10 . 1 1 73 73 ASN N N 492 116.146 116.146 111.198 4.948 17518
5511 1 10 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.654 -0.269 17518
5512 1 10 . 1 1 73 73 ASN C C 492 176.335 176.335 174.010 2.325 17518
5513 1 10 . 1 1 73 73 ASN CA C 492 54.488 54.488 53.979 0.509 17518
5514 1 10 . 1 1 73 73 ASN CB C 492 37.331 37.331 38.631 -1.300 17518
5515 1 10 . 1 1 73 73 ASN H H 492 9.086 9.086 8.093 0.993 17518
5516 1 10 . 1 1 74 74 THR N N 493 110.420 110.420 110.440 -0.020 17518
5517 1 10 . 1 1 74 74 THR HA H 493 3.779 3.779 4.385 -0.606 17518
5518 1 10 . 1 1 74 74 THR C C 493 173.194 173.194 172.921 0.273 17518
5519 1 10 . 1 1 74 74 THR CA C 493 65.027 65.027 63.085 1.942 17518
5520 1 10 . 1 1 74 74 THR CB C 493 69.730 69.730 68.137 1.593 17518
5521 1 10 . 1 1 74 74 THR H H 493 7.782 7.782 8.008 -0.226 17518
5522 1 10 . 1 1 75 75 LYS N N 494 121.968 121.968 119.893 2.075 17518
5523 1 10 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.393 -0.326 17518
5524 1 10 . 1 1 75 75 LYS C C 494 177.470 177.470 175.110 2.360 17518
5525 1 10 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.324 1.685 17518
5526 1 10 . 1 1 75 75 LYS CB C 494 32.586 32.586 34.503 -1.917 17518
5527 1 10 . 1 1 75 75 LYS H H 494 7.652 7.652 8.030 -0.378 17518
5528 1 10 . 1 1 76 76 ASN N N 495 108.525 108.525 114.297 -5.772 17518
5529 1 10 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.676 -0.746 17518
5530 1 10 . 1 1 76 76 ASN C C 495 172.085 172.085 173.284 -1.199 17518
5531 1 10 . 1 1 76 76 ASN CA C 495 54.413 54.413 52.778 1.635 17518
5532 1 10 . 1 1 76 76 ASN CB C 495 39.048 39.048 38.388 0.660 17518
5533 1 10 . 1 1 76 76 ASN H H 495 8.197 8.197 7.802 0.395 17518
5534 1 10 . 1 1 77 77 TYR N N 496 118.076 118.076 117.825 0.251 17518
5535 1 10 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.492 0.301 17518
5536 1 10 . 1 1 77 77 TYR C C 496 175.074 175.074 174.884 0.190 17518
5537 1 10 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.486 0.185 17518
5538 1 10 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.566 1.219 17518
5539 1 10 . 1 1 77 77 TYR H H 496 9.133 9.133 8.834 0.299 17518
5540 1 10 . 1 1 78 78 SER N N 497 116.400 116.400 115.180 1.220 17518
5541 1 10 . 1 1 78 78 SER HA H 497 5.345 5.345 4.924 0.421 17518
5542 1 10 . 1 1 78 78 SER C C 497 173.130 173.130 172.904 0.226 17518
5543 1 10 . 1 1 78 78 SER CA C 497 57.191 57.191 56.336 0.855 17518
5544 1 10 . 1 1 78 78 SER CB C 497 64.293 64.293 64.511 -0.218 17518
5545 1 10 . 1 1 78 78 SER H H 497 8.204 8.204 8.027 0.177 17518
5546 1 10 . 1 1 79 79 PHE N N 498 123.023 123.023 124.895 -1.872 17518
5547 1 10 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.831 -0.021 17518
5548 1 10 . 1 1 79 79 PHE C C 498 175.275 175.275 174.603 0.672 17518
5549 1 10 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.901 0.106 17518
5550 1 10 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.102 -0.113 17518
5551 1 10 . 1 1 79 79 PHE H H 498 9.054 9.054 9.314 -0.260 17518
5552 1 10 . 1 1 80 80 SER N N 499 117.002 117.002 116.995 0.007 17518
5553 1 10 . 1 1 80 80 SER HA H 499 4.997 4.997 4.796 0.201 17518
5554 1 10 . 1 1 80 80 SER C C 499 173.356 173.356 174.995 -1.639 17518
5555 1 10 . 1 1 80 80 SER CA C 499 57.357 57.357 57.220 0.137 17518
5556 1 10 . 1 1 80 80 SER CB C 499 65.301 65.301 64.791 0.510 17518
5557 1 10 . 1 1 80 80 SER H H 499 8.804 8.804 8.605 0.199 17518
5558 1 10 . 1 1 81 81 THR N N 500 112.529 112.529 115.888 -3.359 17518
5559 1 10 . 1 1 81 81 THR HA H 500 3.820 3.820 3.965 -0.145 17518
5560 1 10 . 1 1 81 81 THR C C 500 174.378 174.378 175.312 -0.934 17518
5561 1 10 . 1 1 81 81 THR CA C 500 64.220 64.220 63.773 0.447 17518
5562 1 10 . 1 1 81 81 THR CB C 500 69.475 69.475 68.805 0.670 17518
5563 1 10 . 1 1 81 81 THR H H 500 7.559 7.559 8.173 -0.614 17518
5564 1 10 . 1 1 82 82 GLY N N 501 112.234 112.234 113.598 -1.364 17518
5565 1 10 . 1 1 82 82 GLY C C 501 174.342 174.342 172.423 1.919 17518
5566 1 10 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.506 -0.711 17518
5567 1 10 . 1 1 82 82 GLY H H 501 8.409 8.409 8.357 0.052 17518
5568 1 10 . 1 1 83 83 THR N N 502 120.411 120.411 118.012 2.399 17518
5569 1 10 . 1 1 83 83 THR HA H 502 5.487 5.487 5.219 0.268 17518
5570 1 10 . 1 1 83 83 THR C C 502 174.798 174.798 173.468 1.330 17518
5571 1 10 . 1 1 83 83 THR CA C 502 62.497 62.497 60.950 1.546 17518
5572 1 10 . 1 1 83 83 THR CB C 502 69.978 69.978 71.034 -1.056 17518
5573 1 10 . 1 1 83 83 THR H H 502 8.729 8.729 8.151 0.578 17518
5574 1 10 . 1 1 84 84 SER N N 503 123.023 123.023 121.296 1.727 17518
5575 1 10 . 1 1 84 84 SER HA H 503 5.409 5.409 5.206 0.203 17518
5576 1 10 . 1 1 84 84 SER C C 503 171.976 171.976 173.136 -1.160 17518
5577 1 10 . 1 1 84 84 SER CA C 503 58.675 58.675 56.661 2.014 17518
5578 1 10 . 1 1 84 84 SER CB C 503 67.607 67.607 66.636 0.971 17518
5579 1 10 . 1 1 84 84 SER H H 503 9.121 9.121 9.183 -0.062 17518
5580 1 10 . 1 1 85 85 THR N N 504 118.388 118.388 118.689 -0.301 17518
5581 1 10 . 1 1 85 85 THR HA H 504 5.241 5.241 5.242 -0.001 17518
5582 1 10 . 1 1 85 85 THR C C 504 172.930 172.930 173.066 -0.136 17518
5583 1 10 . 1 1 85 85 THR CA C 504 62.672 62.672 61.962 0.710 17518
5584 1 10 . 1 1 85 85 THR CB C 504 70.641 70.641 70.847 -0.206 17518
5585 1 10 . 1 1 85 85 THR H H 504 9.445 9.445 8.837 0.608 17518
5586 1 10 . 1 1 86 86 TYR N N 505 129.195 129.195 129.059 0.136 17518
5587 1 10 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.620 -0.511 17518
5588 1 10 . 1 1 86 86 TYR C C 505 173.063 173.063 173.872 -0.809 17518
5589 1 10 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.618 1.662 17518
5590 1 10 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.281 -0.620 17518
5591 1 10 . 1 1 86 86 TYR H H 505 9.858 9.858 9.761 0.097 17518
5592 1 10 . 1 1 87 87 THR N N 506 124.861 124.861 122.769 2.092 17518
5593 1 10 . 1 1 87 87 THR HA H 506 4.288 4.288 4.768 -0.480 17518
5594 1 10 . 1 1 87 87 THR C C 506 171.472 171.472 171.709 -0.237 17518
5595 1 10 . 1 1 87 87 THR CA C 506 58.917 58.917 59.041 -0.124 17518
5596 1 10 . 1 1 87 87 THR CB C 506 70.055 70.055 71.173 -1.118 17518
5597 1 10 . 1 1 87 87 THR H H 506 7.906 7.906 8.804 -0.898 17518
5598 1 10 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.559 -0.553 17518
5599 1 10 . 1 1 88 88 PRO C C 507 176.975 176.975 177.048 -0.073 17518
5600 1 10 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.339 0.659 17518
5601 1 10 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.710 -0.336 17518
5602 1 10 . 1 1 89 89 GLY N N 508 108.823 108.823 109.711 -0.888 17518
5603 1 10 . 1 1 89 89 GLY C C 508 173.757 173.757 173.233 0.524 17518
5604 1 10 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.029 0.049 17518
5605 1 10 . 1 1 89 89 GLY H H 508 8.294 8.294 8.383 -0.089 17518
5606 1 10 . 1 1 90 90 ASN N N 509 117.850 117.850 117.058 0.792 17518
5607 1 10 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.680 0.043 17518
5608 1 10 . 1 1 90 90 ASN C C 509 176.078 176.078 174.862 1.216 17518
5609 1 10 . 1 1 90 90 ASN CA C 509 52.906 52.906 52.823 0.083 17518
5610 1 10 . 1 1 90 90 ASN CB C 509 39.922 39.922 38.148 1.774 17518
5611 1 10 . 1 1 90 90 ASN H H 509 8.434 8.434 8.019 0.415 17518
5612 1 10 . 1 1 91 91 SER N N 510 114.973 114.973 117.491 -2.518 17518
5613 1 10 . 1 1 91 91 SER HA H 510 4.133 4.133 4.268 -0.135 17518
5614 1 10 . 1 1 91 91 SER C C 510 174.773 174.773 176.171 -1.398 17518
5615 1 10 . 1 1 91 91 SER CA C 510 58.662 58.662 58.436 0.226 17518
5616 1 10 . 1 1 91 91 SER CB C 510 62.209 62.209 63.579 -1.370 17518
5617 1 10 . 1 1 91 91 SER H H 510 8.819 8.819 8.833 -0.014 17518
5618 1 10 . 1 1 92 92 GLY N N 511 108.552 108.552 114.217 -5.665 17518
5619 1 10 . 1 1 92 92 GLY C C 511 174.613 174.613 174.060 0.553 17518
5620 1 10 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.502 -0.239 17518
5621 1 10 . 1 1 92 92 GLY H H 511 8.472 8.472 8.804 -0.332 17518
5622 1 10 . 1 1 93 93 ASN N N 512 119.035 119.035 120.753 -1.718 17518
5623 1 10 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.770 0.000 17518
5624 1 10 . 1 1 93 93 ASN C C 512 174.627 174.627 173.685 0.942 17518
5625 1 10 . 1 1 93 93 ASN CA C 512 52.833 52.833 53.318 -0.485 17518
5626 1 10 . 1 1 93 93 ASN CB C 512 39.771 39.771 40.128 -0.357 17518
5627 1 10 . 1 1 93 93 ASN H H 512 7.985 7.985 8.116 -0.131 17518
5628 1 10 . 1 1 94 94 ALA N N 513 123.854 123.854 122.097 1.757 17518
5629 1 10 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.530 0.074 17518
5630 1 10 . 1 1 94 94 ALA C C 513 178.511 178.511 176.601 1.910 17518
5631 1 10 . 1 1 94 94 ALA CA C 513 52.699 52.699 52.216 0.483 17518
5632 1 10 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.497 -0.089 17518
5633 1 10 . 1 1 94 94 ALA H H 513 8.442 8.442 8.305 0.137 17518
5634 1 10 . 1 1 95 95 GLY N N 514 108.880 108.880 112.294 -3.414 17518
5635 1 10 . 1 1 95 95 GLY C C 514 173.104 173.104 174.695 -1.591 17518
5636 1 10 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.238 -0.343 17518
5637 1 10 . 1 1 95 95 GLY H H 514 8.353 8.353 8.550 -0.197 17518
5638 1 10 . 1 1 96 96 THR N N 515 110.444 110.444 117.229 -6.785 17518
5639 1 10 . 1 1 96 96 THR HA H 515 4.504 4.504 4.703 -0.199 17518
5640 1 10 . 1 1 96 96 THR C C 515 173.214 173.214 173.763 -0.549 17518
5641 1 10 . 1 1 96 96 THR CA C 515 60.947 60.947 61.740 -0.793 17518
5642 1 10 . 1 1 96 96 THR CB C 515 72.111 72.111 70.552 1.558 17518
5643 1 10 . 1 1 96 96 THR H H 515 7.839 7.839 8.706 -0.867 17518
5644 1 10 . 1 1 97 97 ILE N N 516 126.770 126.770 124.748 2.022 17518
5645 1 10 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.471 -0.500 17518
5646 1 10 . 1 1 97 97 ILE C C 516 176.061 176.061 176.146 -0.085 17518
5647 1 10 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.669 1.376 17518
5648 1 10 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.743 -1.001 17518
5649 1 10 . 1 1 97 97 ILE H H 516 8.733 8.733 8.523 0.210 17518
5650 1 10 . 1 1 98 98 THR N N 517 121.307 121.307 119.831 1.476 17518
5651 1 10 . 1 1 98 98 THR HA H 517 4.693 4.693 4.718 -0.025 17518
5652 1 10 . 1 1 98 98 THR C C 517 173.622 173.622 173.653 -0.031 17518
5653 1 10 . 1 1 98 98 THR CA C 517 59.692 59.692 59.704 -0.012 17518
5654 1 10 . 1 1 98 98 THR CB C 517 71.290 71.290 71.311 -0.021 17518
5655 1 10 . 1 1 98 98 THR H H 517 9.270 9.270 9.138 0.132 17518
5656 1 10 . 1 1 99 99 SER N N 518 118.544 118.544 119.211 -0.667 17518
5657 1 10 . 1 1 99 99 SER HA H 518 4.548 4.548 4.680 -0.132 17518
5658 1 10 . 1 1 99 99 SER C C 518 175.405 175.405 173.898 1.507 17518
5659 1 10 . 1 1 99 99 SER CA C 518 59.662 59.662 58.374 1.288 17518
5660 1 10 . 1 1 99 99 SER CB C 518 63.836 63.836 63.021 0.815 17518
5661 1 10 . 1 1 99 99 SER H H 518 8.667 8.667 8.618 0.049 17518
5662 1 10 . 1 1 100 100 GLY N N 519 113.982 113.982 111.365 2.617 17518
5663 1 10 . 1 1 100 100 GLY C C 519 171.714 171.714 172.741 -1.027 17518
5664 1 10 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.258 -0.185 17518
5665 1 10 . 1 1 100 100 GLY H H 519 8.443 8.443 7.507 0.936 17518
5666 1 10 . 1 1 101 101 ALA N N 520 120.741 120.741 125.716 -4.975 17518
5667 1 10 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.619 -1.012 17518
5668 1 10 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.920 -1.457 17518
5669 1 10 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.397 -1.266 17518
5670 1 10 . 1 1 101 101 ALA H H 520 7.908 7.908 8.208 -0.300 17518
5671 1 10 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.348 -0.306 17518
5672 1 10 . 1 1 102 102 PRO C C 521 175.467 175.467 176.345 -0.878 17518
5673 1 10 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.674 0.024 17518
5674 1 10 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.284 -0.420 17518
5675 1 10 . 1 1 103 103 ALA N N 522 122.930 122.930 125.562 -2.632 17518
5676 1 10 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.415 -0.302 17518
5677 1 10 . 1 1 103 103 ALA C C 522 177.009 177.009 177.450 -0.441 17518
5678 1 10 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.571 0.385 17518
5679 1 10 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.030 1.659 17518
5680 1 10 . 1 1 103 103 ALA H H 522 7.993 7.993 8.395 -0.402 17518
5681 1 11 . 1 1 2 2 GLY C C 421 174.167 174.167 173.377 0.790 17518
5682 1 11 . 1 1 2 2 GLY CA C 421 45.259 45.259 45.158 0.101 17518
5683 1 11 . 1 1 3 3 THR N N 422 113.380 113.380 113.403 -0.023 17518
5684 1 11 . 1 1 3 3 THR HA H 422 4.348 4.348 4.553 -0.205 17518
5685 1 11 . 1 1 3 3 THR C C 422 174.773 174.773 173.060 1.713 17518
5686 1 11 . 1 1 3 3 THR CA C 422 61.357 61.357 62.367 -1.010 17518
5687 1 11 . 1 1 3 3 THR CB C 422 69.791 69.791 68.996 0.795 17518
5688 1 11 . 1 1 3 3 THR H H 422 8.099 8.099 8.159 -0.060 17518
5689 1 11 . 1 1 4 4 GLY N N 423 113.124 113.124 115.008 -1.884 17518
5690 1 11 . 1 1 4 4 GLY C C 423 173.909 173.909 172.591 1.318 17518
5691 1 11 . 1 1 4 4 GLY CA C 423 45.058 45.058 45.594 -0.536 17518
5692 1 11 . 1 1 4 4 GLY H H 423 8.770 8.770 8.322 0.448 17518
5693 1 11 . 1 1 5 5 ASN N N 424 121.226 121.226 118.795 2.431 17518
5694 1 11 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.929 -0.355 17518
5695 1 11 . 1 1 5 5 ASN C C 424 174.450 174.450 173.344 1.106 17518
5696 1 11 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.520 0.717 17518
5697 1 11 . 1 1 5 5 ASN CB C 424 38.520 38.520 42.171 -3.651 17518
5698 1 11 . 1 1 5 5 ASN H H 424 8.988 8.988 8.355 0.633 17518
5699 1 11 . 1 1 6 6 LYS N N 425 119.587 119.587 121.736 -2.149 17518
5700 1 11 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.534 0.595 17518
5701 1 11 . 1 1 6 6 LYS C C 425 176.281 176.281 174.637 1.644 17518
5702 1 11 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.466 -1.072 17518
5703 1 11 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.521 -0.073 17518
5704 1 11 . 1 1 6 6 LYS H H 425 8.354 8.354 8.450 -0.096 17518
5705 1 11 . 1 1 7 7 VAL N N 426 124.203 124.203 126.921 -2.718 17518
5706 1 11 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.943 -0.481 17518
5707 1 11 . 1 1 7 7 VAL C C 426 174.564 174.564 174.545 0.019 17518
5708 1 11 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.687 0.682 17518
5709 1 11 . 1 1 7 7 VAL CB C 426 34.432 34.432 35.109 -0.677 17518
5710 1 11 . 1 1 7 7 VAL H H 426 8.774 8.774 8.878 -0.104 17518
5711 1 11 . 1 1 8 8 THR N N 427 125.363 125.363 123.709 1.654 17518
5712 1 11 . 1 1 8 8 THR HA H 427 5.326 5.326 5.330 -0.004 17518
5713 1 11 . 1 1 8 8 THR C C 427 173.108 173.108 173.293 -0.185 17518
5714 1 11 . 1 1 8 8 THR CA C 427 61.752 61.752 61.789 -0.037 17518
5715 1 11 . 1 1 8 8 THR CB C 427 69.860 69.860 70.759 -0.899 17518
5716 1 11 . 1 1 8 8 THR H H 427 8.851 8.851 9.100 -0.249 17518
5717 1 11 . 1 1 9 9 ILE N N 428 127.015 127.015 126.261 0.754 17518
5718 1 11 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.897 -0.241 17518
5719 1 11 . 1 1 9 9 ILE C C 428 175.404 175.404 174.352 1.052 17518
5720 1 11 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.411 -0.531 17518
5721 1 11 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.643 1.548 17518
5722 1 11 . 1 1 9 9 ILE H H 428 8.628 8.628 9.276 -0.648 17518
5723 1 11 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.387 -0.218 17518
5724 1 11 . 1 1 10 10 TYR C C 429 174.161 174.161 174.762 -0.601 17518
5725 1 11 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.338 2.913 17518
5726 1 11 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.369 1.014 17518
5727 1 11 . 1 1 10 10 TYR H H 429 9.069 9.069 9.298 -0.229 17518
5728 1 11 . 1 1 11 11 TYR N N 430 125.905 125.905 125.978 -0.073 17518
5729 1 11 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.600 -0.610 17518
5730 1 11 . 1 1 11 11 TYR C C 430 173.359 173.359 174.156 -0.797 17518
5731 1 11 . 1 1 11 11 TYR CA C 430 56.630 56.630 55.084 1.546 17518
5732 1 11 . 1 1 11 11 TYR CB C 430 42.942 42.942 42.004 0.938 17518
5733 1 11 . 1 1 11 11 TYR H H 430 9.500 9.500 8.756 0.744 17518
5734 1 11 . 1 1 12 12 LYS N N 431 131.688 131.688 125.851 5.837 17518
5735 1 11 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.327 1.035 17518
5736 1 11 . 1 1 12 12 LYS C C 431 172.929 172.929 174.684 -1.755 17518
5737 1 11 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.423 0.444 17518
5738 1 11 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.416 0.755 17518
5739 1 11 . 1 1 12 12 LYS H H 431 8.410 8.410 7.759 0.651 17518
5740 1 11 . 1 1 13 13 LYS N N 432 125.124 125.124 126.452 -1.328 17518
5741 1 11 . 1 1 13 13 LYS HA H 432 3.872 3.872 4.035 -0.163 17518
5742 1 11 . 1 1 13 13 LYS C C 432 180.107 180.107 176.212 3.895 17518
5743 1 11 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.584 -4.077 17518
5744 1 11 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.258 -0.604 17518
5745 1 11 . 1 1 14 14 GLY N N 433 112.761 112.761 112.483 0.278 17518
5746 1 11 . 1 1 14 14 GLY C C 433 174.180 174.180 174.253 -0.073 17518
5747 1 11 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.217 1.125 17518
5748 1 11 . 1 1 14 14 GLY H H 433 7.585 7.585 8.546 -0.961 17518
5749 1 11 . 1 1 15 15 PHE N N 434 121.529 121.529 118.891 2.638 17518
5750 1 11 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.542 0.149 17518
5751 1 11 . 1 1 15 15 PHE C C 434 175.899 175.899 174.666 1.233 17518
5752 1 11 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.284 -2.127 17518
5753 1 11 . 1 1 15 15 PHE CB C 434 38.472 38.472 39.804 -1.333 17518
5754 1 11 . 1 1 15 15 PHE H H 434 8.454 8.454 7.949 0.505 17518
5755 1 11 . 1 1 16 16 ASN N N 435 117.583 117.583 114.839 2.744 17518
5756 1 11 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.627 -0.228 17518
5757 1 11 . 1 1 16 16 ASN C C 435 176.259 176.259 174.389 1.870 17518
5758 1 11 . 1 1 16 16 ASN CA C 435 56.521 56.521 54.048 2.473 17518
5759 1 11 . 1 1 16 16 ASN CB C 435 39.366 39.366 37.907 1.460 17518
5760 1 11 . 1 1 16 16 ASN H H 435 8.513 8.513 8.724 -0.211 17518
5761 1 11 . 1 1 17 17 SER N N 436 112.889 112.889 117.163 -4.274 17518
5762 1 11 . 1 1 17 17 SER HA H 436 4.798 4.798 4.849 -0.051 17518
5763 1 11 . 1 1 17 17 SER C C 436 171.151 171.151 171.640 -0.489 17518
5764 1 11 . 1 1 17 17 SER CA C 436 53.721 53.721 56.045 -2.324 17518
5765 1 11 . 1 1 17 17 SER CB C 436 63.834 63.834 63.876 -0.042 17518
5766 1 11 . 1 1 17 17 SER H H 436 8.315 8.315 8.359 -0.044 17518
5767 1 11 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.309 0.253 17518
5768 1 11 . 1 1 18 18 PRO C C 437 175.812 175.812 175.434 0.378 17518
5769 1 11 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.171 0.446 17518
5770 1 11 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.449 0.325 17518
5771 1 11 . 1 1 19 19 TYR N N 438 122.060 122.060 119.666 2.394 17518
5772 1 11 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.777 0.053 17518
5773 1 11 . 1 1 19 19 TYR C C 438 174.732 174.732 174.973 -0.241 17518
5774 1 11 . 1 1 19 19 TYR CA C 438 56.729 56.729 57.303 -0.574 17518
5775 1 11 . 1 1 19 19 TYR CB C 438 40.758 40.758 40.658 0.099 17518
5776 1 11 . 1 1 19 19 TYR H H 438 9.072 9.072 8.699 0.373 17518
5777 1 11 . 1 1 20 20 ILE N N 439 118.018 118.018 120.971 -2.953 17518
5778 1 11 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.697 0.291 17518
5779 1 11 . 1 1 20 20 ILE C C 439 171.341 171.341 174.249 -2.908 17518
5780 1 11 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.135 -0.561 17518
5781 1 11 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.254 0.404 17518
5782 1 11 . 1 1 20 20 ILE H H 439 9.164 9.164 8.971 0.193 17518
5783 1 11 . 1 1 21 21 HIS N N 440 133.346 133.346 130.493 2.853 17518
5784 1 11 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.880 0.495 17518
5785 1 11 . 1 1 21 21 HIS C C 440 174.947 174.947 173.317 1.630 17518
5786 1 11 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.267 -0.467 17518
5787 1 11 . 1 1 21 21 HIS CB C 440 35.001 35.001 30.886 4.115 17518
5788 1 11 . 1 1 21 21 HIS H H 440 8.843 8.843 8.518 0.325 17518
5789 1 11 . 1 1 22 22 TYR N N 441 121.863 121.863 122.205 -0.342 17518
5790 1 11 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.669 0.388 17518
5791 1 11 . 1 1 22 22 TYR C C 441 173.567 173.567 173.255 0.312 17518
5792 1 11 . 1 1 22 22 TYR CA C 441 56.693 56.693 55.216 1.477 17518
5793 1 11 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.774 1.022 17518
5794 1 11 . 1 1 22 22 TYR H H 441 8.231 8.231 7.740 0.491 17518
5795 1 11 . 1 1 23 23 ARG N N 442 116.788 116.788 120.607 -3.819 17518
5796 1 11 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.658 -0.027 17518
5797 1 11 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.973 -0.613 17518
5798 1 11 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.448 -1.134 17518
5799 1 11 . 1 1 23 23 ARG H H 442 8.456 8.456 9.105 -0.649 17518
5800 1 11 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.506 0.001 17518
5801 1 11 . 1 1 24 24 PRO C C 443 176.258 176.258 176.003 0.255 17518
5802 1 11 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.961 0.283 17518
5803 1 11 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.272 -0.075 17518
5804 1 11 . 1 1 25 25 ALA N N 444 125.666 125.666 126.062 -0.396 17518
5805 1 11 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.972 -0.014 17518
5806 1 11 . 1 1 25 25 ALA C C 444 179.221 179.221 177.364 1.857 17518
5807 1 11 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.344 0.836 17518
5808 1 11 . 1 1 25 25 ALA CB C 444 18.420 18.420 17.858 0.562 17518
5809 1 11 . 1 1 25 25 ALA H H 444 8.230 8.230 8.220 0.010 17518
5810 1 11 . 1 1 26 26 GLY N N 445 112.217 112.217 110.361 1.856 17518
5811 1 11 . 1 1 26 26 GLY C C 445 174.734 174.734 174.305 0.429 17518
5812 1 11 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.599 1.062 17518
5813 1 11 . 1 1 26 26 GLY H H 445 8.591 8.591 8.082 0.509 17518
5814 1 11 . 1 1 27 27 GLY N N 446 109.489 109.489 108.574 0.915 17518
5815 1 11 . 1 1 27 27 GLY C C 446 173.379 173.379 172.791 0.588 17518
5816 1 11 . 1 1 27 27 GLY CA C 446 44.117 44.117 43.974 0.144 17518
5817 1 11 . 1 1 27 27 GLY H H 446 8.380 8.380 8.442 -0.062 17518
5818 1 11 . 1 1 28 28 SER N N 447 117.275 117.275 114.693 2.582 17518
5819 1 11 . 1 1 28 28 SER HA H 447 4.637 4.637 4.524 0.113 17518
5820 1 11 . 1 1 28 28 SER C C 447 173.759 173.759 173.403 0.356 17518
5821 1 11 . 1 1 28 28 SER CA C 447 57.410 57.410 57.597 -0.187 17518
5822 1 11 . 1 1 28 28 SER CB C 447 65.022 65.022 65.340 -0.318 17518
5823 1 11 . 1 1 28 28 SER H H 447 8.585 8.585 8.233 0.352 17518
5824 1 11 . 1 1 29 29 TRP N N 448 123.426 123.426 122.001 1.425 17518
5825 1 11 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.367 0.026 17518
5826 1 11 . 1 1 29 29 TRP C C 448 178.997 178.997 177.368 1.629 17518
5827 1 11 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.839 0.327 17518
5828 1 11 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.386 0.220 17518
5829 1 11 . 1 1 29 29 TRP H H 448 8.346 8.346 8.538 -0.192 17518
5830 1 11 . 1 1 30 30 THR N N 449 111.168 111.168 115.611 -4.443 17518
5831 1 11 . 1 1 30 30 THR HA H 449 3.978 3.978 4.416 -0.438 17518
5832 1 11 . 1 1 30 30 THR C C 449 174.707 174.707 173.953 0.754 17518
5833 1 11 . 1 1 30 30 THR CA C 449 61.317 61.317 61.370 -0.053 17518
5834 1 11 . 1 1 30 30 THR CB C 449 70.526 70.526 69.615 0.911 17518
5835 1 11 . 1 1 30 30 THR H H 449 7.888 7.888 8.326 -0.438 17518
5836 1 11 . 1 1 31 31 ALA N N 450 122.982 122.982 124.395 -1.413 17518
5837 1 11 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.223 0.176 17518
5838 1 11 . 1 1 31 31 ALA C C 450 178.443 178.443 176.518 1.925 17518
5839 1 11 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.854 0.030 17518
5840 1 11 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.235 -0.174 17518
5841 1 11 . 1 1 31 31 ALA H H 450 8.383 8.383 8.446 -0.063 17518
5842 1 11 . 1 1 32 32 ALA N N 451 129.780 129.780 126.954 2.826 17518
5843 1 11 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.226 -0.368 17518
5844 1 11 . 1 1 32 32 ALA C C 451 175.997 175.997 175.927 0.070 17518
5845 1 11 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.224 1.587 17518
5846 1 11 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.439 -2.192 17518
5847 1 11 . 1 1 32 32 ALA H H 451 8.778 8.778 7.861 0.917 17518
5848 1 11 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.269 -0.425 17518
5849 1 11 . 1 1 33 33 PRO C C 452 173.297 173.297 176.781 -3.484 17518
5850 1 11 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.503 1.229 17518
5851 1 11 . 1 1 33 33 PRO CB C 452 33.646 33.646 32.403 1.243 17518
5852 1 11 . 1 1 34 34 GLY N N 453 112.150 112.150 112.301 -0.151 17518
5853 1 11 . 1 1 34 34 GLY C C 453 174.011 174.011 173.739 0.272 17518
5854 1 11 . 1 1 34 34 GLY CA C 453 43.995 43.995 46.205 -2.210 17518
5855 1 11 . 1 1 34 34 GLY H H 453 8.685 8.685 7.827 0.858 17518
5856 1 11 . 1 1 35 35 VAL N N 454 123.276 123.276 118.883 4.393 17518
5857 1 11 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.467 -0.121 17518
5858 1 11 . 1 1 35 35 VAL C C 454 174.782 174.782 175.025 -0.243 17518
5859 1 11 . 1 1 35 35 VAL CA C 454 60.959 60.959 59.980 0.979 17518
5860 1 11 . 1 1 35 35 VAL CB C 454 34.857 34.857 35.458 -0.601 17518
5861 1 11 . 1 1 35 35 VAL H H 454 9.287 9.287 8.348 0.939 17518
5862 1 11 . 1 1 36 36 LYS N N 455 128.135 128.135 128.210 -0.075 17518
5863 1 11 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.222 -1.161 17518
5864 1 11 . 1 1 36 36 LYS C C 455 176.438 176.438 176.403 0.035 17518
5865 1 11 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.593 0.630 17518
5866 1 11 . 1 1 36 36 LYS CB C 455 32.619 32.619 32.065 0.554 17518
5867 1 11 . 1 1 36 36 LYS H H 455 8.443 8.443 8.497 -0.054 17518
5868 1 11 . 1 1 37 37 MET N N 456 124.850 124.850 127.379 -2.529 17518
5869 1 11 . 1 1 37 37 MET HA H 456 4.207 4.207 4.111 0.096 17518
5870 1 11 . 1 1 37 37 MET C C 456 175.590 175.590 176.382 -0.792 17518
5871 1 11 . 1 1 37 37 MET CA C 456 56.409 56.409 57.697 -1.288 17518
5872 1 11 . 1 1 37 37 MET CB C 456 34.978 34.978 32.265 2.713 17518
5873 1 11 . 1 1 37 37 MET H H 456 8.121 8.121 8.320 -0.199 17518
5874 1 11 . 1 1 38 38 GLN N N 457 121.555 121.555 122.432 -0.877 17518
5875 1 11 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.099 0.294 17518
5876 1 11 . 1 1 38 38 GLN C C 457 175.737 175.737 175.722 0.015 17518
5877 1 11 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.103 -1.320 17518
5878 1 11 . 1 1 38 38 GLN CB C 457 30.307 30.307 28.780 1.526 17518
5879 1 11 . 1 1 38 38 GLN H H 457 8.441 8.441 8.622 -0.181 17518
5880 1 11 . 1 1 39 39 ASP N N 458 121.629 121.629 118.692 2.937 17518
5881 1 11 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.713 0.018 17518
5882 1 11 . 1 1 39 39 ASP C C 458 176.733 176.733 175.131 1.602 17518
5883 1 11 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.109 2.148 17518
5884 1 11 . 1 1 39 39 ASP CB C 458 40.358 40.358 41.078 -0.720 17518
5885 1 11 . 1 1 39 39 ASP H H 458 8.720 8.720 8.395 0.325 17518
5886 1 11 . 1 1 40 40 ALA N N 459 122.646 122.646 125.275 -2.629 17518
5887 1 11 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.645 -0.353 17518
5888 1 11 . 1 1 40 40 ALA C C 459 175.201 175.201 177.843 -2.642 17518
5889 1 11 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.261 0.295 17518
5890 1 11 . 1 1 40 40 ALA CB C 459 21.948 21.948 20.361 1.587 17518
5891 1 11 . 1 1 40 40 ALA H H 459 8.423 8.423 8.887 -0.464 17518
5892 1 11 . 1 1 41 41 GLU N N 460 120.190 120.190 127.269 -7.079 17518
5893 1 11 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.992 0.315 17518
5894 1 11 . 1 1 41 41 GLU C C 460 174.722 174.722 178.233 -3.511 17518
5895 1 11 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.107 -0.588 17518
5896 1 11 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.305 -1.969 17518
5897 1 11 . 1 1 41 41 GLU H H 460 10.341 10.341 8.907 1.434 17518
5898 1 11 . 1 1 42 42 ILE N N 461 119.473 119.473 119.628 -0.155 17518
5899 1 11 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.575 0.736 17518
5900 1 11 . 1 1 42 42 ILE C C 461 174.959 174.959 175.985 -1.026 17518
5901 1 11 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.893 -4.927 17518
5902 1 11 . 1 1 42 42 ILE CB C 461 39.745 39.745 38.019 1.726 17518
5903 1 11 . 1 1 42 42 ILE H H 461 6.466 6.466 7.756 -1.290 17518
5904 1 11 . 1 1 43 43 SER N N 462 121.292 121.292 111.855 9.437 17518
5905 1 11 . 1 1 43 43 SER HA H 462 4.297 4.297 4.506 -0.209 17518
5906 1 11 . 1 1 43 43 SER C C 462 175.624 175.624 173.440 2.184 17518
5907 1 11 . 1 1 43 43 SER CA C 462 60.112 60.112 58.209 1.903 17518
5908 1 11 . 1 1 43 43 SER CB C 462 63.116 63.116 62.925 0.191 17518
5909 1 11 . 1 1 43 43 SER H H 462 8.584 8.584 7.535 1.049 17518
5910 1 11 . 1 1 44 44 GLY N N 463 111.896 111.896 108.246 3.650 17518
5911 1 11 . 1 1 44 44 GLY C C 463 173.823 173.823 173.356 0.467 17518
5912 1 11 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.679 -0.800 17518
5913 1 11 . 1 1 44 44 GLY H H 463 8.623 8.623 8.077 0.546 17518
5914 1 11 . 1 1 45 45 TYR N N 464 116.379 116.379 120.029 -3.650 17518
5915 1 11 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.721 0.977 17518
5916 1 11 . 1 1 45 45 TYR C C 464 175.693 175.693 173.462 2.231 17518
5917 1 11 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.845 -0.233 17518
5918 1 11 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.619 -0.695 17518
5919 1 11 . 1 1 45 45 TYR H H 464 7.803 7.803 8.093 -0.290 17518
5920 1 11 . 1 1 46 46 ALA N N 465 126.206 126.206 120.331 5.875 17518
5921 1 11 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.489 -0.152 17518
5922 1 11 . 1 1 46 46 ALA C C 465 176.129 176.129 175.684 0.445 17518
5923 1 11 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.757 0.699 17518
5924 1 11 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.220 2.126 17518
5925 1 11 . 1 1 46 46 ALA H H 465 9.910 9.910 9.152 0.758 17518
5926 1 11 . 1 1 47 47 LYS N N 466 120.226 120.226 120.805 -0.579 17518
5927 1 11 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.107 0.565 17518
5928 1 11 . 1 1 47 47 LYS C C 466 173.880 173.880 174.673 -0.793 17518
5929 1 11 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.309 0.097 17518
5930 1 11 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.409 0.751 17518
5931 1 11 . 1 1 47 47 LYS H H 466 9.373 9.373 8.260 1.113 17518
5932 1 11 . 1 1 48 48 ILE N N 467 120.505 120.505 121.258 -0.753 17518
5933 1 11 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.504 -0.101 17518
5934 1 11 . 1 1 48 48 ILE C C 467 171.247 171.247 173.155 -1.908 17518
5935 1 11 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.573 -0.191 17518
5936 1 11 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.896 -0.362 17518
5937 1 11 . 1 1 48 48 ILE H H 467 8.085 8.085 8.756 -0.671 17518
5938 1 11 . 1 1 49 49 THR N N 468 122.247 122.247 124.823 -2.576 17518
5939 1 11 . 1 1 49 49 THR HA H 468 5.301 5.301 5.462 -0.161 17518
5940 1 11 . 1 1 49 49 THR C C 468 173.694 173.694 173.823 -0.129 17518
5941 1 11 . 1 1 49 49 THR CA C 468 61.871 61.871 60.758 1.113 17518
5942 1 11 . 1 1 49 49 THR CB C 468 70.649 70.649 69.820 0.828 17518
5943 1 11 . 1 1 49 49 THR H H 468 7.954 7.954 8.209 -0.255 17518
5944 1 11 . 1 1 50 50 VAL N N 469 126.076 126.076 124.582 1.494 17518
5945 1 11 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.081 0.030 17518
5946 1 11 . 1 1 50 50 VAL C C 469 173.826 173.826 174.054 -0.228 17518
5947 1 11 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.606 -0.407 17518
5948 1 11 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.555 -0.506 17518
5949 1 11 . 1 1 50 50 VAL H H 469 9.242 9.242 9.002 0.240 17518
5950 1 11 . 1 1 51 51 ASP N N 470 126.346 126.346 124.828 1.518 17518
5951 1 11 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.771 0.142 17518
5952 1 11 . 1 1 51 51 ASP C C 470 177.013 177.013 176.362 0.651 17518
5953 1 11 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.146 -1.132 17518
5954 1 11 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.006 -0.087 17518
5955 1 11 . 1 1 51 51 ASP H H 470 8.476 8.476 8.517 -0.041 17518
5956 1 11 . 1 1 52 52 ILE N N 471 118.935 118.935 116.197 2.738 17518
5957 1 11 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.558 -0.020 17518
5958 1 11 . 1 1 52 52 ILE C C 471 176.991 176.991 176.396 0.595 17518
5959 1 11 . 1 1 52 52 ILE CA C 471 59.992 59.992 59.849 0.143 17518
5960 1 11 . 1 1 52 52 ILE CB C 471 38.002 38.002 39.695 -1.693 17518
5961 1 11 . 1 1 52 52 ILE H H 471 8.728 8.728 8.118 0.610 17518
5962 1 11 . 1 1 53 53 GLY N N 472 114.498 114.498 110.929 3.569 17518
5963 1 11 . 1 1 53 53 GLY C C 472 174.971 174.971 174.818 0.153 17518
5964 1 11 . 1 1 53 53 GLY CA C 472 47.668 47.668 46.806 0.862 17518
5965 1 11 . 1 1 53 53 GLY H H 472 9.078 9.078 8.568 0.510 17518
5966 1 11 . 1 1 54 54 SER N N 473 120.546 120.546 117.118 3.428 17518
5967 1 11 . 1 1 54 54 SER HA H 473 4.426 4.426 4.007 0.419 17518
5968 1 11 . 1 1 54 54 SER C C 473 174.975 174.975 173.230 1.745 17518
5969 1 11 . 1 1 54 54 SER CA C 473 58.417 58.417 59.976 -1.559 17518
5970 1 11 . 1 1 54 54 SER CB C 473 63.632 63.632 63.035 0.597 17518
5971 1 11 . 1 1 54 54 SER H H 473 8.808 8.808 8.811 -0.003 17518
5972 1 11 . 1 1 55 55 ALA N N 474 125.402 125.402 123.566 1.836 17518
5973 1 11 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.613 -0.247 17518
5974 1 11 . 1 1 55 55 ALA C C 474 176.116 176.116 176.366 -0.250 17518
5975 1 11 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.222 1.150 17518
5976 1 11 . 1 1 55 55 ALA CB C 474 20.315 20.315 20.361 -0.046 17518
5977 1 11 . 1 1 55 55 ALA H H 474 7.738 7.738 7.954 -0.216 17518
5978 1 11 . 1 1 56 56 SER N N 475 110.149 110.149 116.176 -6.027 17518
5979 1 11 . 1 1 56 56 SER HA H 475 4.539 4.539 4.399 0.140 17518
5980 1 11 . 1 1 56 56 SER C C 475 173.662 173.662 173.954 -0.292 17518
5981 1 11 . 1 1 56 56 SER CA C 475 58.121 58.121 59.786 -1.665 17518
5982 1 11 . 1 1 56 56 SER CB C 475 65.000 65.000 63.937 1.063 17518
5983 1 11 . 1 1 56 56 SER H H 475 8.756 8.756 8.706 0.050 17518
5984 1 11 . 1 1 57 57 GLN N N 476 117.023 117.023 115.716 1.307 17518
5985 1 11 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.817 0.241 17518
5986 1 11 . 1 1 57 57 GLN C C 476 173.042 173.042 173.368 -0.326 17518
5987 1 11 . 1 1 57 57 GLN CA C 476 54.224 54.224 54.985 -0.761 17518
5988 1 11 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.610 -0.001 17518
5989 1 11 . 1 1 57 57 GLN H H 476 7.139 7.139 7.451 -0.312 17518
5990 1 11 . 1 1 58 58 LEU N N 477 121.156 121.156 120.983 0.173 17518
5991 1 11 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.131 -0.385 17518
5992 1 11 . 1 1 58 58 LEU C C 477 173.922 173.922 174.341 -0.419 17518
5993 1 11 . 1 1 58 58 LEU CA C 477 53.508 53.508 53.698 -0.190 17518
5994 1 11 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.161 1.119 17518
5995 1 11 . 1 1 58 58 LEU H H 477 9.149 9.149 9.275 -0.126 17518
5996 1 11 . 1 1 59 59 GLU N N 478 126.375 126.375 125.061 1.314 17518
5997 1 11 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.851 -0.495 17518
5998 1 11 . 1 1 59 59 GLU C C 478 175.481 175.481 175.069 0.412 17518
5999 1 11 . 1 1 59 59 GLU CA C 478 54.597 54.597 55.025 -0.428 17518
6000 1 11 . 1 1 59 59 GLU CB C 478 32.759 32.759 33.635 -0.876 17518
6001 1 11 . 1 1 59 59 GLU H H 478 8.558 8.558 9.003 -0.445 17518
6002 1 11 . 1 1 60 60 ALA N N 479 124.321 124.321 127.632 -3.311 17518
6003 1 11 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.824 -0.032 17518
6004 1 11 . 1 1 60 60 ALA C C 479 174.955 174.955 175.239 -0.284 17518
6005 1 11 . 1 1 60 60 ALA CA C 479 51.141 51.141 51.062 0.079 17518
6006 1 11 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.779 1.315 17518
6007 1 11 . 1 1 60 60 ALA H H 479 9.614 9.614 9.405 0.209 17518
6008 1 11 . 1 1 61 61 ALA N N 480 120.954 120.954 120.914 0.040 17518
6009 1 11 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.367 -0.573 17518
6010 1 11 . 1 1 61 61 ALA C C 480 174.782 174.782 174.894 -0.112 17518
6011 1 11 . 1 1 61 61 ALA CA C 480 51.257 51.257 50.642 0.615 17518
6012 1 11 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.877 0.337 17518
6013 1 11 . 1 1 61 61 ALA H H 480 9.346 9.346 9.274 0.072 17518
6014 1 11 . 1 1 62 62 PHE N N 481 117.021 117.021 119.826 -2.805 17518
6015 1 11 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.767 1.117 17518
6016 1 11 . 1 1 62 62 PHE C C 481 175.044 175.044 173.150 1.894 17518
6017 1 11 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.119 1.469 17518
6018 1 11 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.159 1.104 17518
6019 1 11 . 1 1 62 62 PHE H H 481 8.351 8.351 8.803 -0.452 17518
6020 1 11 . 1 1 63 63 ASN N N 482 116.362 116.362 122.155 -5.793 17518
6021 1 11 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.391 0.717 17518
6022 1 11 . 1 1 63 63 ASN C C 482 172.088 172.088 173.814 -1.726 17518
6023 1 11 . 1 1 63 63 ASN CA C 482 53.710 53.710 52.010 1.700 17518
6024 1 11 . 1 1 63 63 ASN CB C 482 41.348 41.348 41.638 -0.290 17518
6025 1 11 . 1 1 63 63 ASN H H 482 9.077 9.077 8.254 0.823 17518
6026 1 11 . 1 1 64 64 ASP N N 483 118.002 118.002 120.572 -2.570 17518
6027 1 11 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.081 0.103 17518
6028 1 11 . 1 1 64 64 ASP C C 483 177.271 177.271 177.429 -0.158 17518
6029 1 11 . 1 1 64 64 ASP CA C 483 52.301 52.301 53.489 -1.188 17518
6030 1 11 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.977 0.910 17518
6031 1 11 . 1 1 64 64 ASP H H 483 7.482 7.482 8.131 -0.649 17518
6032 1 11 . 1 1 65 65 GLY N N 484 110.602 110.602 108.748 1.854 17518
6033 1 11 . 1 1 65 65 GLY C C 484 173.156 173.156 174.435 -1.279 17518
6034 1 11 . 1 1 65 65 GLY CA C 484 45.615 45.615 46.111 -0.496 17518
6035 1 11 . 1 1 65 65 GLY H H 484 8.696 8.696 7.863 0.833 17518
6036 1 11 . 1 1 66 66 ASN N N 485 120.867 120.867 118.228 2.639 17518
6037 1 11 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.629 0.075 17518
6038 1 11 . 1 1 66 66 ASN C C 485 174.442 174.442 175.894 -1.452 17518
6039 1 11 . 1 1 66 66 ASN CA C 485 52.311 52.311 54.093 -1.782 17518
6040 1 11 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.284 0.207 17518
6041 1 11 . 1 1 66 66 ASN H H 485 8.371 8.371 8.456 -0.085 17518
6042 1 11 . 1 1 67 67 ASN N N 486 113.518 113.518 111.673 1.845 17518
6043 1 11 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.712 -0.534 17518
6044 1 11 . 1 1 67 67 ASN C C 486 173.845 173.845 173.333 0.512 17518
6045 1 11 . 1 1 67 67 ASN CA C 486 54.486 54.486 53.824 0.662 17518
6046 1 11 . 1 1 67 67 ASN CB C 486 38.267 38.267 39.489 -1.222 17518
6047 1 11 . 1 1 67 67 ASN H H 486 8.700 8.700 8.202 0.498 17518
6048 1 11 . 1 1 68 68 ASN N N 487 118.464 118.464 121.105 -2.641 17518
6049 1 11 . 1 1 68 68 ASN HA H 487 5.058 5.058 4.882 0.176 17518
6050 1 11 . 1 1 68 68 ASN C C 487 173.449 173.449 174.005 -0.556 17518
6051 1 11 . 1 1 68 68 ASN CA C 487 53.268 53.268 53.755 -0.487 17518
6052 1 11 . 1 1 68 68 ASN CB C 487 38.813 38.813 38.785 0.028 17518
6053 1 11 . 1 1 68 68 ASN H H 487 7.975 7.975 8.582 -0.607 17518
6054 1 11 . 1 1 69 69 TRP N N 488 120.817 120.817 123.377 -2.560 17518
6055 1 11 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.934 -0.112 17518
6056 1 11 . 1 1 69 69 TRP C C 488 176.268 176.268 175.925 0.343 17518
6057 1 11 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.692 1.486 17518
6058 1 11 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.904 0.427 17518
6059 1 11 . 1 1 69 69 TRP H H 488 8.771 8.771 8.385 0.386 17518
6060 1 11 . 1 1 70 70 ASP N N 489 122.179 122.179 119.436 2.743 17518
6061 1 11 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.212 -0.016 17518
6062 1 11 . 1 1 70 70 ASP C C 489 175.441 175.441 174.676 0.765 17518
6063 1 11 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.116 -0.771 17518
6064 1 11 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.659 -1.691 17518
6065 1 11 . 1 1 70 70 ASP H H 489 9.795 9.795 9.088 0.707 17518
6066 1 11 . 1 1 71 71 SER N N 490 117.314 117.314 117.461 -0.147 17518
6067 1 11 . 1 1 71 71 SER HA H 490 5.084 5.084 4.557 0.527 17518
6068 1 11 . 1 1 71 71 SER C C 490 175.277 175.277 173.379 1.898 17518
6069 1 11 . 1 1 71 71 SER CA C 490 56.099 56.099 56.413 -0.314 17518
6070 1 11 . 1 1 71 71 SER CB C 490 66.550 66.550 66.133 0.417 17518
6071 1 11 . 1 1 71 71 SER H H 490 9.238 9.238 8.071 1.167 17518
6072 1 11 . 1 1 72 72 ASN N N 491 122.911 122.911 120.878 2.033 17518
6073 1 11 . 1 1 72 72 ASN HA H 491 4.367 4.367 4.178 0.189 17518
6074 1 11 . 1 1 72 72 ASN C C 491 176.857 176.857 174.631 2.226 17518
6075 1 11 . 1 1 72 72 ASN CA C 491 53.192 53.192 53.989 -0.796 17518
6076 1 11 . 1 1 72 72 ASN CB C 491 35.574 35.574 36.711 -1.137 17518
6077 1 11 . 1 1 72 72 ASN H H 491 8.536 8.536 8.429 0.107 17518
6078 1 11 . 1 1 73 73 ASN N N 492 116.146 116.146 115.797 0.349 17518
6079 1 11 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.455 -0.070 17518
6080 1 11 . 1 1 73 73 ASN C C 492 176.335 176.335 174.047 2.288 17518
6081 1 11 . 1 1 73 73 ASN CA C 492 54.488 54.488 55.173 -0.685 17518
6082 1 11 . 1 1 73 73 ASN CB C 492 37.331 37.331 38.209 -0.878 17518
6083 1 11 . 1 1 73 73 ASN H H 492 9.086 9.086 8.808 0.278 17518
6084 1 11 . 1 1 74 74 THR N N 493 110.420 110.420 110.758 -0.338 17518
6085 1 11 . 1 1 74 74 THR HA H 493 3.779 3.779 4.349 -0.570 17518
6086 1 11 . 1 1 74 74 THR C C 493 173.194 173.194 172.744 0.450 17518
6087 1 11 . 1 1 74 74 THR CA C 493 65.027 65.027 62.330 2.697 17518
6088 1 11 . 1 1 74 74 THR CB C 493 69.730 69.730 68.999 0.731 17518
6089 1 11 . 1 1 74 74 THR H H 493 7.782 7.782 7.729 0.053 17518
6090 1 11 . 1 1 75 75 LYS N N 494 121.968 121.968 119.703 2.265 17518
6091 1 11 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.473 -0.406 17518
6092 1 11 . 1 1 75 75 LYS C C 494 177.470 177.470 175.376 2.094 17518
6093 1 11 . 1 1 75 75 LYS CA C 494 58.009 58.009 55.814 2.195 17518
6094 1 11 . 1 1 75 75 LYS CB C 494 32.586 32.586 34.272 -1.686 17518
6095 1 11 . 1 1 75 75 LYS H H 494 7.652 7.652 8.002 -0.350 17518
6096 1 11 . 1 1 76 76 ASN N N 495 108.525 108.525 116.327 -7.802 17518
6097 1 11 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.738 -0.808 17518
6098 1 11 . 1 1 76 76 ASN C C 495 172.085 172.085 173.245 -1.160 17518
6099 1 11 . 1 1 76 76 ASN CA C 495 54.413 54.413 53.060 1.353 17518
6100 1 11 . 1 1 76 76 ASN CB C 495 39.048 39.048 40.175 -1.127 17518
6101 1 11 . 1 1 76 76 ASN H H 495 8.197 8.197 7.925 0.272 17518
6102 1 11 . 1 1 77 77 TYR N N 496 118.076 118.076 119.374 -1.298 17518
6103 1 11 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.629 0.164 17518
6104 1 11 . 1 1 77 77 TYR C C 496 175.074 175.074 175.530 -0.456 17518
6105 1 11 . 1 1 77 77 TYR CA C 496 57.671 57.671 58.029 -0.358 17518
6106 1 11 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.452 1.333 17518
6107 1 11 . 1 1 77 77 TYR H H 496 9.133 9.133 8.847 0.286 17518
6108 1 11 . 1 1 78 78 SER N N 497 116.400 116.400 116.759 -0.359 17518
6109 1 11 . 1 1 78 78 SER HA H 497 5.345 5.345 5.191 0.154 17518
6110 1 11 . 1 1 78 78 SER C C 497 173.130 173.130 173.088 0.042 17518
6111 1 11 . 1 1 78 78 SER CA C 497 57.191 57.191 56.817 0.374 17518
6112 1 11 . 1 1 78 78 SER CB C 497 64.293 64.293 64.230 0.063 17518
6113 1 11 . 1 1 78 78 SER H H 497 8.204 8.204 8.120 0.084 17518
6114 1 11 . 1 1 79 79 PHE N N 498 123.023 123.023 125.366 -2.343 17518
6115 1 11 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.920 -0.110 17518
6116 1 11 . 1 1 79 79 PHE C C 498 175.275 175.275 174.395 0.880 17518
6117 1 11 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.535 0.472 17518
6118 1 11 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.146 -0.157 17518
6119 1 11 . 1 1 79 79 PHE H H 498 9.054 9.054 9.620 -0.566 17518
6120 1 11 . 1 1 80 80 SER N N 499 117.002 117.002 116.621 0.381 17518
6121 1 11 . 1 1 80 80 SER HA H 499 4.997 4.997 4.848 0.149 17518
6122 1 11 . 1 1 80 80 SER C C 499 173.356 173.356 174.853 -1.497 17518
6123 1 11 . 1 1 80 80 SER CA C 499 57.357 57.357 57.067 0.290 17518
6124 1 11 . 1 1 80 80 SER CB C 499 65.301 65.301 64.625 0.676 17518
6125 1 11 . 1 1 80 80 SER H H 499 8.804 8.804 8.381 0.423 17518
6126 1 11 . 1 1 81 81 THR N N 500 112.529 112.529 115.262 -2.733 17518
6127 1 11 . 1 1 81 81 THR HA H 500 3.820 3.820 3.886 -0.066 17518
6128 1 11 . 1 1 81 81 THR C C 500 174.378 174.378 175.195 -0.817 17518
6129 1 11 . 1 1 81 81 THR CA C 500 64.220 64.220 63.532 0.688 17518
6130 1 11 . 1 1 81 81 THR CB C 500 69.475 69.475 68.937 0.538 17518
6131 1 11 . 1 1 81 81 THR H H 500 7.559 7.559 8.336 -0.777 17518
6132 1 11 . 1 1 82 82 GLY N N 501 112.234 112.234 114.830 -2.596 17518
6133 1 11 . 1 1 82 82 GLY C C 501 174.342 174.342 172.284 2.058 17518
6134 1 11 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.705 -0.910 17518
6135 1 11 . 1 1 82 82 GLY H H 501 8.409 8.409 8.480 -0.071 17518
6136 1 11 . 1 1 83 83 THR N N 502 120.411 120.411 118.395 2.016 17518
6137 1 11 . 1 1 83 83 THR HA H 502 5.487 5.487 5.283 0.204 17518
6138 1 11 . 1 1 83 83 THR C C 502 174.798 174.798 173.563 1.235 17518
6139 1 11 . 1 1 83 83 THR CA C 502 62.497 62.497 60.688 1.810 17518
6140 1 11 . 1 1 83 83 THR CB C 502 69.978 69.978 71.656 -1.678 17518
6141 1 11 . 1 1 83 83 THR H H 502 8.729 8.729 8.105 0.624 17518
6142 1 11 . 1 1 84 84 SER N N 503 123.023 123.023 121.101 1.922 17518
6143 1 11 . 1 1 84 84 SER HA H 503 5.409 5.409 5.166 0.243 17518
6144 1 11 . 1 1 84 84 SER C C 503 171.976 171.976 173.453 -1.477 17518
6145 1 11 . 1 1 84 84 SER CA C 503 58.675 58.675 56.888 1.787 17518
6146 1 11 . 1 1 84 84 SER CB C 503 67.607 67.607 66.768 0.839 17518
6147 1 11 . 1 1 84 84 SER H H 503 9.121 9.121 9.241 -0.120 17518
6148 1 11 . 1 1 85 85 THR N N 504 118.388 118.388 118.785 -0.397 17518
6149 1 11 . 1 1 85 85 THR HA H 504 5.241 5.241 5.196 0.045 17518
6150 1 11 . 1 1 85 85 THR C C 504 172.930 172.930 172.913 0.017 17518
6151 1 11 . 1 1 85 85 THR CA C 504 62.672 62.672 62.564 0.108 17518
6152 1 11 . 1 1 85 85 THR CB C 504 70.641 70.641 71.207 -0.566 17518
6153 1 11 . 1 1 85 85 THR H H 504 9.445 9.445 8.725 0.720 17518
6154 1 11 . 1 1 86 86 TYR N N 505 129.195 129.195 128.682 0.513 17518
6155 1 11 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.483 -0.374 17518
6156 1 11 . 1 1 86 86 TYR C C 505 173.063 173.063 173.719 -0.656 17518
6157 1 11 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.963 1.317 17518
6158 1 11 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.183 -0.523 17518
6159 1 11 . 1 1 86 86 TYR H H 505 9.858 9.858 9.774 0.084 17518
6160 1 11 . 1 1 87 87 THR N N 506 124.861 124.861 123.337 1.524 17518
6161 1 11 . 1 1 87 87 THR HA H 506 4.288 4.288 4.941 -0.653 17518
6162 1 11 . 1 1 87 87 THR C C 506 171.472 171.472 172.003 -0.531 17518
6163 1 11 . 1 1 87 87 THR CA C 506 58.917 58.917 59.279 -0.362 17518
6164 1 11 . 1 1 87 87 THR CB C 506 70.055 70.055 71.206 -1.151 17518
6165 1 11 . 1 1 87 87 THR H H 506 7.906 7.906 8.836 -0.930 17518
6166 1 11 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.776 -0.770 17518
6167 1 11 . 1 1 88 88 PRO C C 507 176.975 176.975 177.287 -0.312 17518
6168 1 11 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.520 0.478 17518
6169 1 11 . 1 1 88 88 PRO CB C 507 32.374 32.374 33.116 -0.742 17518
6170 1 11 . 1 1 89 89 GLY N N 508 108.823 108.823 109.983 -1.160 17518
6171 1 11 . 1 1 89 89 GLY C C 508 173.757 173.757 173.709 0.048 17518
6172 1 11 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.250 -0.172 17518
6173 1 11 . 1 1 89 89 GLY H H 508 8.294 8.294 8.465 -0.171 17518
6174 1 11 . 1 1 90 90 ASN N N 509 117.850 117.850 118.481 -0.631 17518
6175 1 11 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.742 -0.019 17518
6176 1 11 . 1 1 90 90 ASN C C 509 176.078 176.078 175.070 1.008 17518
6177 1 11 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.910 -1.004 17518
6178 1 11 . 1 1 90 90 ASN CB C 509 39.922 39.922 39.313 0.609 17518
6179 1 11 . 1 1 90 90 ASN H H 509 8.434 8.434 7.976 0.458 17518
6180 1 11 . 1 1 91 91 SER N N 510 114.973 114.973 117.856 -2.883 17518
6181 1 11 . 1 1 91 91 SER HA H 510 4.133 4.133 4.108 0.025 17518
6182 1 11 . 1 1 91 91 SER C C 510 174.773 174.773 175.835 -1.062 17518
6183 1 11 . 1 1 91 91 SER CA C 510 58.662 58.662 60.647 -1.984 17518
6184 1 11 . 1 1 91 91 SER CB C 510 62.209 62.209 62.584 -0.375 17518
6185 1 11 . 1 1 91 91 SER H H 510 8.819 8.819 8.737 0.082 17518
6186 1 11 . 1 1 92 92 GLY N N 511 108.552 108.552 110.240 -1.688 17518
6187 1 11 . 1 1 92 92 GLY C C 511 174.613 174.613 174.465 0.148 17518
6188 1 11 . 1 1 92 92 GLY CA C 511 45.263 45.263 46.124 -0.861 17518
6189 1 11 . 1 1 92 92 GLY H H 511 8.472 8.472 8.374 0.098 17518
6190 1 11 . 1 1 93 93 ASN N N 512 119.035 119.035 117.623 1.412 17518
6191 1 11 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.883 -0.113 17518
6192 1 11 . 1 1 93 93 ASN C C 512 174.627 174.627 173.831 0.796 17518
6193 1 11 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.496 0.337 17518
6194 1 11 . 1 1 93 93 ASN CB C 512 39.771 39.771 41.245 -1.474 17518
6195 1 11 . 1 1 93 93 ASN H H 512 7.985 7.985 7.694 0.291 17518
6196 1 11 . 1 1 94 94 ALA N N 513 123.854 123.854 123.110 0.744 17518
6197 1 11 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.571 0.033 17518
6198 1 11 . 1 1 94 94 ALA C C 513 178.511 178.511 176.962 1.549 17518
6199 1 11 . 1 1 94 94 ALA CA C 513 52.699 52.699 51.931 0.768 17518
6200 1 11 . 1 1 94 94 ALA CB C 513 20.408 20.408 19.467 0.941 17518
6201 1 11 . 1 1 94 94 ALA H H 513 8.442 8.442 8.774 -0.332 17518
6202 1 11 . 1 1 95 95 GLY N N 514 108.880 108.880 112.012 -3.132 17518
6203 1 11 . 1 1 95 95 GLY C C 514 173.104 173.104 174.175 -1.071 17518
6204 1 11 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.688 -0.793 17518
6205 1 11 . 1 1 95 95 GLY H H 514 8.353 8.353 8.441 -0.088 17518
6206 1 11 . 1 1 96 96 THR N N 515 110.444 110.444 116.794 -6.350 17518
6207 1 11 . 1 1 96 96 THR HA H 515 4.504 4.504 4.473 0.031 17518
6208 1 11 . 1 1 96 96 THR C C 515 173.214 173.214 173.960 -0.746 17518
6209 1 11 . 1 1 96 96 THR CA C 515 60.947 60.947 61.287 -0.340 17518
6210 1 11 . 1 1 96 96 THR CB C 515 72.111 72.111 70.652 1.459 17518
6211 1 11 . 1 1 96 96 THR H H 515 7.839 7.839 8.529 -0.690 17518
6212 1 11 . 1 1 97 97 ILE N N 516 126.770 126.770 124.339 2.431 17518
6213 1 11 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.123 -0.152 17518
6214 1 11 . 1 1 97 97 ILE C C 516 176.061 176.061 175.905 0.156 17518
6215 1 11 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.690 1.355 17518
6216 1 11 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.492 -0.750 17518
6217 1 11 . 1 1 97 97 ILE H H 516 8.733 8.733 8.261 0.472 17518
6218 1 11 . 1 1 98 98 THR N N 517 121.307 121.307 120.119 1.188 17518
6219 1 11 . 1 1 98 98 THR HA H 517 4.693 4.693 4.698 -0.005 17518
6220 1 11 . 1 1 98 98 THR C C 517 173.622 173.622 173.540 0.082 17518
6221 1 11 . 1 1 98 98 THR CA C 517 59.692 59.692 59.834 -0.141 17518
6222 1 11 . 1 1 98 98 THR CB C 517 71.290 71.290 71.233 0.057 17518
6223 1 11 . 1 1 98 98 THR H H 517 9.270 9.270 8.950 0.320 17518
6224 1 11 . 1 1 99 99 SER N N 518 118.544 118.544 116.998 1.546 17518
6225 1 11 . 1 1 99 99 SER HA H 518 4.548 4.548 4.606 -0.058 17518
6226 1 11 . 1 1 99 99 SER C C 518 175.405 175.405 174.069 1.336 17518
6227 1 11 . 1 1 99 99 SER CA C 518 59.662 59.662 57.656 2.006 17518
6228 1 11 . 1 1 99 99 SER CB C 518 63.836 63.836 62.696 1.140 17518
6229 1 11 . 1 1 99 99 SER H H 518 8.667 8.667 8.620 0.047 17518
6230 1 11 . 1 1 100 100 GLY N N 519 113.982 113.982 110.938 3.044 17518
6231 1 11 . 1 1 100 100 GLY C C 519 171.714 171.714 172.811 -1.097 17518
6232 1 11 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.589 -0.516 17518
6233 1 11 . 1 1 100 100 GLY H H 519 8.443 8.443 7.805 0.638 17518
6234 1 11 . 1 1 101 101 ALA N N 520 120.741 120.741 125.661 -4.920 17518
6235 1 11 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.529 -0.922 17518
6236 1 11 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.981 -1.518 17518
6237 1 11 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.360 -1.228 17518
6238 1 11 . 1 1 101 101 ALA H H 520 7.908 7.908 8.216 -0.308 17518
6239 1 11 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.365 -0.323 17518
6240 1 11 . 1 1 102 102 PRO C C 521 175.467 175.467 176.316 -0.849 17518
6241 1 11 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.715 -0.017 17518
6242 1 11 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.324 -0.460 17518
6243 1 11 . 1 1 103 103 ALA N N 522 122.930 122.930 125.655 -2.725 17518
6244 1 11 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.429 -0.316 17518
6245 1 11 . 1 1 103 103 ALA C C 522 177.009 177.009 177.727 -0.718 17518
6246 1 11 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.493 0.463 17518
6247 1 11 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.097 1.592 17518
6248 1 11 . 1 1 103 103 ALA H H 522 7.993 7.993 8.360 -0.367 17518
6249 1 12 . 1 1 2 2 GLY C C 421 174.167 174.167 173.663 0.504 17518
6250 1 12 . 1 1 2 2 GLY CA C 421 45.259 45.259 44.453 0.805 17518
6251 1 12 . 1 1 3 3 THR N N 422 113.380 113.380 115.883 -2.503 17518
6252 1 12 . 1 1 3 3 THR HA H 422 4.348 4.348 5.206 -0.858 17518
6253 1 12 . 1 1 3 3 THR C C 422 174.773 174.773 175.158 -0.385 17518
6254 1 12 . 1 1 3 3 THR CA C 422 61.357 61.357 59.502 1.855 17518
6255 1 12 . 1 1 3 3 THR CB C 422 69.791 69.791 70.235 -0.444 17518
6256 1 12 . 1 1 3 3 THR H H 422 8.099 8.099 8.061 0.038 17518
6257 1 12 . 1 1 4 4 GLY N N 423 113.124 113.124 111.720 1.404 17518
6258 1 12 . 1 1 4 4 GLY C C 423 173.909 173.909 173.153 0.756 17518
6259 1 12 . 1 1 4 4 GLY CA C 423 45.058 45.058 45.515 -0.457 17518
6260 1 12 . 1 1 4 4 GLY H H 423 8.770 8.770 9.165 -0.395 17518
6261 1 12 . 1 1 5 5 ASN N N 424 121.226 121.226 121.251 -0.025 17518
6262 1 12 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.771 -0.197 17518
6263 1 12 . 1 1 5 5 ASN C C 424 174.450 174.450 174.361 0.089 17518
6264 1 12 . 1 1 5 5 ASN CA C 424 53.237 53.237 53.245 -0.008 17518
6265 1 12 . 1 1 5 5 ASN CB C 424 38.520 38.520 39.650 -1.129 17518
6266 1 12 . 1 1 5 5 ASN H H 424 8.988 8.988 8.529 0.459 17518
6267 1 12 . 1 1 6 6 LYS N N 425 119.587 119.587 120.270 -0.683 17518
6268 1 12 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.478 0.651 17518
6269 1 12 . 1 1 6 6 LYS C C 425 176.281 176.281 174.593 1.688 17518
6270 1 12 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.365 -0.972 17518
6271 1 12 . 1 1 6 6 LYS CB C 425 35.448 35.448 36.021 -0.573 17518
6272 1 12 . 1 1 6 6 LYS H H 425 8.354 8.354 8.404 -0.050 17518
6273 1 12 . 1 1 7 7 VAL N N 426 124.203 124.203 123.194 1.009 17518
6274 1 12 . 1 1 7 7 VAL HA H 426 4.462 4.462 5.014 -0.552 17518
6275 1 12 . 1 1 7 7 VAL C C 426 174.564 174.564 175.255 -0.691 17518
6276 1 12 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.293 1.076 17518
6277 1 12 . 1 1 7 7 VAL CB C 426 34.432 34.432 33.955 0.477 17518
6278 1 12 . 1 1 7 7 VAL H H 426 8.774 8.774 8.620 0.154 17518
6279 1 12 . 1 1 8 8 THR N N 427 125.363 125.363 124.374 0.989 17518
6280 1 12 . 1 1 8 8 THR HA H 427 5.326 5.326 5.359 -0.033 17518
6281 1 12 . 1 1 8 8 THR C C 427 173.108 173.108 173.328 -0.220 17518
6282 1 12 . 1 1 8 8 THR CA C 427 61.752 61.752 61.915 -0.163 17518
6283 1 12 . 1 1 8 8 THR CB C 427 69.860 69.860 70.705 -0.845 17518
6284 1 12 . 1 1 8 8 THR H H 427 8.851 8.851 9.153 -0.302 17518
6285 1 12 . 1 1 9 9 ILE N N 428 127.015 127.015 126.361 0.654 17518
6286 1 12 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.960 -0.304 17518
6287 1 12 . 1 1 9 9 ILE C C 428 175.404 175.404 174.408 0.996 17518
6288 1 12 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.298 -0.418 17518
6289 1 12 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.856 1.335 17518
6290 1 12 . 1 1 9 9 ILE H H 428 8.628 8.628 9.166 -0.538 17518
6291 1 12 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.480 -0.311 17518
6292 1 12 . 1 1 10 10 TYR C C 429 174.161 174.161 175.084 -0.923 17518
6293 1 12 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.317 2.934 17518
6294 1 12 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.319 1.064 17518
6295 1 12 . 1 1 10 10 TYR H H 429 9.069 9.069 9.196 -0.127 17518
6296 1 12 . 1 1 11 11 TYR N N 430 125.905 125.905 125.450 0.455 17518
6297 1 12 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.656 -0.666 17518
6298 1 12 . 1 1 11 11 TYR C C 430 173.359 173.359 174.237 -0.878 17518
6299 1 12 . 1 1 11 11 TYR CA C 430 56.630 56.630 55.188 1.442 17518
6300 1 12 . 1 1 11 11 TYR CB C 430 42.942 42.942 41.991 0.951 17518
6301 1 12 . 1 1 11 11 TYR H H 430 9.500 9.500 9.064 0.436 17518
6302 1 12 . 1 1 12 12 LYS N N 431 131.688 131.688 125.047 6.641 17518
6303 1 12 . 1 1 12 12 LYS HA H 431 3.362 3.362 1.870 1.492 17518
6304 1 12 . 1 1 12 12 LYS C C 431 172.929 172.929 174.427 -1.498 17518
6305 1 12 . 1 1 12 12 LYS CA C 431 55.867 55.867 54.978 0.889 17518
6306 1 12 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.184 0.987 17518
6307 1 12 . 1 1 12 12 LYS H H 431 8.410 8.410 7.564 0.846 17518
6308 1 12 . 1 1 13 13 LYS N N 432 125.124 125.124 125.890 -0.766 17518
6309 1 12 . 1 1 13 13 LYS HA H 432 3.872 3.872 4.011 -0.139 17518
6310 1 12 . 1 1 13 13 LYS C C 432 180.107 180.107 176.260 3.847 17518
6311 1 12 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.863 -4.355 17518
6312 1 12 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.275 -0.621 17518
6313 1 12 . 1 1 14 14 GLY N N 433 112.761 112.761 113.487 -0.726 17518
6314 1 12 . 1 1 14 14 GLY C C 433 174.180 174.180 174.493 -0.313 17518
6315 1 12 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.322 1.020 17518
6316 1 12 . 1 1 14 14 GLY H H 433 7.585 7.585 8.578 -0.993 17518
6317 1 12 . 1 1 15 15 PHE N N 434 121.529 121.529 119.647 1.882 17518
6318 1 12 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.708 -0.017 17518
6319 1 12 . 1 1 15 15 PHE C C 434 175.899 175.899 175.067 0.832 17518
6320 1 12 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.230 -2.073 17518
6321 1 12 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.642 -2.170 17518
6322 1 12 . 1 1 15 15 PHE H H 434 8.454 8.454 8.280 0.174 17518
6323 1 12 . 1 1 16 16 ASN N N 435 117.583 117.583 113.921 3.662 17518
6324 1 12 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.674 -0.275 17518
6325 1 12 . 1 1 16 16 ASN C C 435 176.259 176.259 174.099 2.160 17518
6326 1 12 . 1 1 16 16 ASN CA C 435 56.521 56.521 54.102 2.419 17518
6327 1 12 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.149 1.217 17518
6328 1 12 . 1 1 16 16 ASN H H 435 8.513 8.513 8.949 -0.436 17518
6329 1 12 . 1 1 17 17 SER N N 436 112.889 112.889 114.273 -1.384 17518
6330 1 12 . 1 1 17 17 SER HA H 436 4.798 4.798 4.830 -0.032 17518
6331 1 12 . 1 1 17 17 SER C C 436 171.151 171.151 171.662 -0.511 17518
6332 1 12 . 1 1 17 17 SER CA C 436 53.721 53.721 56.516 -2.795 17518
6333 1 12 . 1 1 17 17 SER CB C 436 63.834 63.834 63.449 0.385 17518
6334 1 12 . 1 1 17 17 SER H H 436 8.315 8.315 8.163 0.152 17518
6335 1 12 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.311 0.251 17518
6336 1 12 . 1 1 18 18 PRO C C 437 175.812 175.812 175.434 0.378 17518
6337 1 12 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.103 0.514 17518
6338 1 12 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.465 0.309 17518
6339 1 12 . 1 1 19 19 TYR N N 438 122.060 122.060 117.166 4.894 17518
6340 1 12 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.814 0.016 17518
6341 1 12 . 1 1 19 19 TYR C C 438 174.732 174.732 174.800 -0.068 17518
6342 1 12 . 1 1 19 19 TYR CA C 438 56.729 56.729 56.928 -0.199 17518
6343 1 12 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.444 -0.686 17518
6344 1 12 . 1 1 19 19 TYR H H 438 9.072 9.072 8.913 0.159 17518
6345 1 12 . 1 1 20 20 ILE N N 439 118.018 118.018 120.663 -2.645 17518
6346 1 12 . 1 1 20 20 ILE HA H 439 4.988 4.988 5.034 -0.046 17518
6347 1 12 . 1 1 20 20 ILE C C 439 171.341 171.341 174.705 -3.364 17518
6348 1 12 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.300 -0.727 17518
6349 1 12 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.237 0.421 17518
6350 1 12 . 1 1 20 20 ILE H H 439 9.164 9.164 9.048 0.116 17518
6351 1 12 . 1 1 21 21 HIS N N 440 133.346 133.346 130.393 2.953 17518
6352 1 12 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.815 0.560 17518
6353 1 12 . 1 1 21 21 HIS C C 440 174.947 174.947 173.689 1.258 17518
6354 1 12 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.047 -0.246 17518
6355 1 12 . 1 1 21 21 HIS CB C 440 35.001 35.001 31.498 3.503 17518
6356 1 12 . 1 1 21 21 HIS H H 440 8.843 8.843 8.684 0.159 17518
6357 1 12 . 1 1 22 22 TYR N N 441 121.863 121.863 123.183 -1.320 17518
6358 1 12 . 1 1 22 22 TYR HA H 441 6.057 6.057 6.017 0.040 17518
6359 1 12 . 1 1 22 22 TYR C C 441 173.567 173.567 173.524 0.043 17518
6360 1 12 . 1 1 22 22 TYR CA C 441 56.693 56.693 54.913 1.780 17518
6361 1 12 . 1 1 22 22 TYR CB C 441 42.796 42.796 42.010 0.786 17518
6362 1 12 . 1 1 22 22 TYR H H 441 8.231 8.231 7.961 0.270 17518
6363 1 12 . 1 1 23 23 ARG N N 442 116.788 116.788 120.942 -4.154 17518
6364 1 12 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.791 -0.160 17518
6365 1 12 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.918 -0.558 17518
6366 1 12 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.544 -1.230 17518
6367 1 12 . 1 1 23 23 ARG H H 442 8.456 8.456 9.163 -0.707 17518
6368 1 12 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.497 0.010 17518
6369 1 12 . 1 1 24 24 PRO C C 443 176.258 176.258 175.951 0.307 17518
6370 1 12 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.971 0.273 17518
6371 1 12 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.302 -0.105 17518
6372 1 12 . 1 1 25 25 ALA N N 444 125.666 125.666 125.869 -0.203 17518
6373 1 12 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.898 0.060 17518
6374 1 12 . 1 1 25 25 ALA C C 444 179.221 179.221 177.457 1.764 17518
6375 1 12 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.163 1.018 17518
6376 1 12 . 1 1 25 25 ALA CB C 444 18.420 18.420 17.838 0.582 17518
6377 1 12 . 1 1 25 25 ALA H H 444 8.230 8.230 8.218 0.012 17518
6378 1 12 . 1 1 26 26 GLY N N 445 112.217 112.217 110.277 1.940 17518
6379 1 12 . 1 1 26 26 GLY C C 445 174.734 174.734 174.357 0.377 17518
6380 1 12 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.569 1.093 17518
6381 1 12 . 1 1 26 26 GLY H H 445 8.591 8.591 7.851 0.740 17518
6382 1 12 . 1 1 27 27 GLY N N 446 109.489 109.489 109.741 -0.252 17518
6383 1 12 . 1 1 27 27 GLY C C 446 173.379 173.379 172.929 0.450 17518
6384 1 12 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.279 -0.162 17518
6385 1 12 . 1 1 27 27 GLY H H 446 8.380 8.380 8.449 -0.069 17518
6386 1 12 . 1 1 28 28 SER N N 447 117.275 117.275 114.389 2.886 17518
6387 1 12 . 1 1 28 28 SER HA H 447 4.637 4.637 4.605 0.032 17518
6388 1 12 . 1 1 28 28 SER C C 447 173.759 173.759 173.421 0.338 17518
6389 1 12 . 1 1 28 28 SER CA C 447 57.410 57.410 57.317 0.093 17518
6390 1 12 . 1 1 28 28 SER CB C 447 65.022 65.022 65.392 -0.370 17518
6391 1 12 . 1 1 28 28 SER H H 447 8.585 8.585 8.175 0.410 17518
6392 1 12 . 1 1 29 29 TRP N N 448 123.426 123.426 122.279 1.147 17518
6393 1 12 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.530 -0.137 17518
6394 1 12 . 1 1 29 29 TRP C C 448 178.997 178.997 177.097 1.900 17518
6395 1 12 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.975 0.191 17518
6396 1 12 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.132 0.474 17518
6397 1 12 . 1 1 29 29 TRP H H 448 8.346 8.346 8.404 -0.058 17518
6398 1 12 . 1 1 30 30 THR N N 449 111.168 111.168 115.177 -4.009 17518
6399 1 12 . 1 1 30 30 THR HA H 449 3.978 3.978 4.428 -0.450 17518
6400 1 12 . 1 1 30 30 THR C C 449 174.707 174.707 173.973 0.734 17518
6401 1 12 . 1 1 30 30 THR CA C 449 61.317 61.317 61.499 -0.182 17518
6402 1 12 . 1 1 30 30 THR CB C 449 70.526 70.526 69.479 1.047 17518
6403 1 12 . 1 1 30 30 THR H H 449 7.888 7.888 8.782 -0.894 17518
6404 1 12 . 1 1 31 31 ALA N N 450 122.982 122.982 123.867 -0.885 17518
6405 1 12 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.244 0.155 17518
6406 1 12 . 1 1 31 31 ALA C C 450 178.443 178.443 176.529 1.914 17518
6407 1 12 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.497 0.387 17518
6408 1 12 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.147 -0.086 17518
6409 1 12 . 1 1 31 31 ALA H H 450 8.383 8.383 8.350 0.033 17518
6410 1 12 . 1 1 32 32 ALA N N 451 129.780 129.780 127.137 2.643 17518
6411 1 12 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.130 -0.272 17518
6412 1 12 . 1 1 32 32 ALA C C 451 175.997 175.997 175.794 0.203 17518
6413 1 12 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.480 1.331 17518
6414 1 12 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.582 -2.336 17518
6415 1 12 . 1 1 32 32 ALA H H 451 8.778 8.778 7.972 0.806 17518
6416 1 12 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.404 -0.560 17518
6417 1 12 . 1 1 33 33 PRO C C 452 173.297 173.297 176.867 -3.570 17518
6418 1 12 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.314 1.418 17518
6419 1 12 . 1 1 33 33 PRO CB C 452 33.646 33.646 31.960 1.686 17518
6420 1 12 . 1 1 34 34 GLY N N 453 112.150 112.150 112.198 -0.048 17518
6421 1 12 . 1 1 34 34 GLY C C 453 174.011 174.011 173.656 0.355 17518
6422 1 12 . 1 1 34 34 GLY CA C 453 43.995 43.995 45.501 -1.506 17518
6423 1 12 . 1 1 34 34 GLY H H 453 8.685 8.685 7.595 1.090 17518
6424 1 12 . 1 1 35 35 VAL N N 454 123.276 123.276 122.303 0.973 17518
6425 1 12 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.363 -0.017 17518
6426 1 12 . 1 1 35 35 VAL C C 454 174.782 174.782 175.003 -0.221 17518
6427 1 12 . 1 1 35 35 VAL CA C 454 60.959 60.959 60.055 0.904 17518
6428 1 12 . 1 1 35 35 VAL CB C 454 34.857 34.857 35.269 -0.412 17518
6429 1 12 . 1 1 35 35 VAL H H 454 9.287 9.287 8.485 0.802 17518
6430 1 12 . 1 1 36 36 LYS N N 455 128.135 128.135 129.329 -1.194 17518
6431 1 12 . 1 1 36 36 LYS HA H 455 3.061 3.061 3.992 -0.931 17518
6432 1 12 . 1 1 36 36 LYS C C 455 176.438 176.438 176.221 0.217 17518
6433 1 12 . 1 1 36 36 LYS CA C 455 57.223 57.223 57.105 0.118 17518
6434 1 12 . 1 1 36 36 LYS CB C 455 32.619 32.619 31.978 0.641 17518
6435 1 12 . 1 1 36 36 LYS H H 455 8.443 8.443 8.635 -0.192 17518
6436 1 12 . 1 1 37 37 MET N N 456 124.850 124.850 127.822 -2.972 17518
6437 1 12 . 1 1 37 37 MET HA H 456 4.207 4.207 4.323 -0.116 17518
6438 1 12 . 1 1 37 37 MET C C 456 175.590 175.590 176.254 -0.664 17518
6439 1 12 . 1 1 37 37 MET CA C 456 56.409 56.409 57.123 -0.714 17518
6440 1 12 . 1 1 37 37 MET CB C 456 34.978 34.978 33.070 1.908 17518
6441 1 12 . 1 1 37 37 MET H H 456 8.121 8.121 8.249 -0.128 17518
6442 1 12 . 1 1 38 38 GLN N N 457 121.555 121.555 121.273 0.282 17518
6443 1 12 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.241 0.152 17518
6444 1 12 . 1 1 38 38 GLN C C 457 175.737 175.737 175.796 -0.059 17518
6445 1 12 . 1 1 38 38 GLN CA C 457 54.783 54.783 55.575 -0.792 17518
6446 1 12 . 1 1 38 38 GLN CB C 457 30.307 30.307 29.089 1.218 17518
6447 1 12 . 1 1 38 38 GLN H H 457 8.441 8.441 8.921 -0.480 17518
6448 1 12 . 1 1 39 39 ASP N N 458 121.629 121.629 119.156 2.473 17518
6449 1 12 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.675 0.056 17518
6450 1 12 . 1 1 39 39 ASP C C 458 176.733 176.733 175.309 1.424 17518
6451 1 12 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.558 1.699 17518
6452 1 12 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.944 -0.586 17518
6453 1 12 . 1 1 39 39 ASP H H 458 8.720 8.720 8.455 0.265 17518
6454 1 12 . 1 1 40 40 ALA N N 459 122.646 122.646 125.198 -2.552 17518
6455 1 12 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.644 -0.352 17518
6456 1 12 . 1 1 40 40 ALA C C 459 175.201 175.201 177.800 -2.599 17518
6457 1 12 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.318 0.238 17518
6458 1 12 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.884 2.064 17518
6459 1 12 . 1 1 40 40 ALA H H 459 8.423 8.423 8.896 -0.473 17518
6460 1 12 . 1 1 41 41 GLU N N 460 120.190 120.190 126.172 -5.982 17518
6461 1 12 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.940 0.367 17518
6462 1 12 . 1 1 41 41 GLU C C 460 174.722 174.722 177.696 -2.974 17518
6463 1 12 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.258 -0.739 17518
6464 1 12 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.164 -1.828 17518
6465 1 12 . 1 1 41 41 GLU H H 460 10.341 10.341 8.887 1.454 17518
6466 1 12 . 1 1 42 42 ILE N N 461 119.473 119.473 118.952 0.521 17518
6467 1 12 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.620 0.691 17518
6468 1 12 . 1 1 42 42 ILE C C 461 174.959 174.959 176.264 -1.305 17518
6469 1 12 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.242 -4.276 17518
6470 1 12 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.097 2.648 17518
6471 1 12 . 1 1 42 42 ILE H H 461 6.466 6.466 7.706 -1.240 17518
6472 1 12 . 1 1 43 43 SER N N 462 121.292 121.292 110.747 10.545 17518
6473 1 12 . 1 1 43 43 SER HA H 462 4.297 4.297 4.409 -0.112 17518
6474 1 12 . 1 1 43 43 SER C C 462 175.624 175.624 173.449 2.175 17518
6475 1 12 . 1 1 43 43 SER CA C 462 60.112 60.112 58.094 2.018 17518
6476 1 12 . 1 1 43 43 SER CB C 462 63.116 63.116 63.040 0.076 17518
6477 1 12 . 1 1 43 43 SER H H 462 8.584 8.584 7.654 0.930 17518
6478 1 12 . 1 1 44 44 GLY N N 463 111.896 111.896 107.795 4.101 17518
6479 1 12 . 1 1 44 44 GLY C C 463 173.823 173.823 173.235 0.588 17518
6480 1 12 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.427 -0.548 17518
6481 1 12 . 1 1 44 44 GLY H H 463 8.623 8.623 7.966 0.657 17518
6482 1 12 . 1 1 45 45 TYR N N 464 116.379 116.379 119.806 -3.427 17518
6483 1 12 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.771 0.927 17518
6484 1 12 . 1 1 45 45 TYR C C 464 175.693 175.693 173.363 2.330 17518
6485 1 12 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.529 0.083 17518
6486 1 12 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.529 -0.605 17518
6487 1 12 . 1 1 45 45 TYR H H 464 7.803 7.803 8.093 -0.290 17518
6488 1 12 . 1 1 46 46 ALA N N 465 126.206 126.206 120.026 6.180 17518
6489 1 12 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.513 -0.176 17518
6490 1 12 . 1 1 46 46 ALA C C 465 176.129 176.129 175.875 0.254 17518
6491 1 12 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.869 0.587 17518
6492 1 12 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.363 1.984 17518
6493 1 12 . 1 1 46 46 ALA H H 465 9.910 9.910 9.242 0.668 17518
6494 1 12 . 1 1 47 47 LYS N N 466 120.226 120.226 120.066 0.160 17518
6495 1 12 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.422 0.250 17518
6496 1 12 . 1 1 47 47 LYS C C 466 173.880 173.880 174.886 -1.006 17518
6497 1 12 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.295 0.111 17518
6498 1 12 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.821 0.339 17518
6499 1 12 . 1 1 47 47 LYS H H 466 9.373 9.373 8.420 0.953 17518
6500 1 12 . 1 1 48 48 ILE N N 467 120.505 120.505 121.771 -1.266 17518
6501 1 12 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.546 -0.143 17518
6502 1 12 . 1 1 48 48 ILE C C 467 171.247 171.247 173.351 -2.104 17518
6503 1 12 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.852 -0.470 17518
6504 1 12 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.774 -0.240 17518
6505 1 12 . 1 1 48 48 ILE H H 467 8.085 8.085 8.840 -0.755 17518
6506 1 12 . 1 1 49 49 THR N N 468 122.247 122.247 124.567 -2.320 17518
6507 1 12 . 1 1 49 49 THR HA H 468 5.301 5.301 5.381 -0.080 17518
6508 1 12 . 1 1 49 49 THR C C 468 173.694 173.694 173.948 -0.254 17518
6509 1 12 . 1 1 49 49 THR CA C 468 61.871 61.871 60.909 0.962 17518
6510 1 12 . 1 1 49 49 THR CB C 468 70.649 70.649 69.957 0.692 17518
6511 1 12 . 1 1 49 49 THR H H 468 7.954 7.954 8.335 -0.381 17518
6512 1 12 . 1 1 50 50 VAL N N 469 126.076 126.076 125.541 0.535 17518
6513 1 12 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.031 0.080 17518
6514 1 12 . 1 1 50 50 VAL C C 469 173.826 173.826 174.112 -0.286 17518
6515 1 12 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.894 -0.695 17518
6516 1 12 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.182 -0.133 17518
6517 1 12 . 1 1 50 50 VAL H H 469 9.242 9.242 9.012 0.230 17518
6518 1 12 . 1 1 51 51 ASP N N 470 126.346 126.346 125.801 0.545 17518
6519 1 12 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.774 0.139 17518
6520 1 12 . 1 1 51 51 ASP C C 470 177.013 177.013 176.338 0.675 17518
6521 1 12 . 1 1 51 51 ASP CA C 470 53.014 53.014 53.991 -0.977 17518
6522 1 12 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.126 -0.207 17518
6523 1 12 . 1 1 51 51 ASP H H 470 8.476 8.476 8.521 -0.045 17518
6524 1 12 . 1 1 52 52 ILE N N 471 118.935 118.935 117.251 1.684 17518
6525 1 12 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.562 -0.024 17518
6526 1 12 . 1 1 52 52 ILE C C 471 176.991 176.991 176.617 0.374 17518
6527 1 12 . 1 1 52 52 ILE CA C 471 59.992 59.992 60.785 -0.793 17518
6528 1 12 . 1 1 52 52 ILE CB C 471 38.002 38.002 40.216 -2.214 17518
6529 1 12 . 1 1 52 52 ILE H H 471 8.728 8.728 8.352 0.376 17518
6530 1 12 . 1 1 53 53 GLY N N 472 114.498 114.498 110.756 3.742 17518
6531 1 12 . 1 1 53 53 GLY C C 472 174.971 174.971 175.550 -0.579 17518
6532 1 12 . 1 1 53 53 GLY CA C 472 47.668 47.668 46.832 0.836 17518
6533 1 12 . 1 1 53 53 GLY H H 472 9.078 9.078 8.157 0.921 17518
6534 1 12 . 1 1 54 54 SER N N 473 120.546 120.546 121.248 -0.702 17518
6535 1 12 . 1 1 54 54 SER HA H 473 4.426 4.426 4.707 -0.281 17518
6536 1 12 . 1 1 54 54 SER C C 473 174.975 174.975 174.269 0.706 17518
6537 1 12 . 1 1 54 54 SER CA C 473 58.417 58.417 58.225 0.192 17518
6538 1 12 . 1 1 54 54 SER CB C 473 63.632 63.632 64.034 -0.402 17518
6539 1 12 . 1 1 54 54 SER H H 473 8.808 8.808 8.212 0.596 17518
6540 1 12 . 1 1 55 55 ALA N N 474 125.402 125.402 124.843 0.559 17518
6541 1 12 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.111 0.255 17518
6542 1 12 . 1 1 55 55 ALA C C 474 176.116 176.116 177.836 -1.720 17518
6543 1 12 . 1 1 55 55 ALA CA C 474 52.372 52.372 53.252 -0.880 17518
6544 1 12 . 1 1 55 55 ALA CB C 474 20.315 20.315 19.128 1.187 17518
6545 1 12 . 1 1 55 55 ALA H H 474 7.738 7.738 7.527 0.211 17518
6546 1 12 . 1 1 56 56 SER N N 475 110.149 110.149 117.138 -6.989 17518
6547 1 12 . 1 1 56 56 SER HA H 475 4.539 4.539 4.201 0.338 17518
6548 1 12 . 1 1 56 56 SER C C 475 173.662 173.662 174.074 -0.412 17518
6549 1 12 . 1 1 56 56 SER CA C 475 58.121 58.121 60.132 -2.011 17518
6550 1 12 . 1 1 56 56 SER CB C 475 65.000 65.000 63.638 1.362 17518
6551 1 12 . 1 1 56 56 SER H H 475 8.756 8.756 8.744 0.012 17518
6552 1 12 . 1 1 57 57 GLN N N 476 117.023 117.023 116.382 0.641 17518
6553 1 12 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.742 0.316 17518
6554 1 12 . 1 1 57 57 GLN C C 476 173.042 173.042 173.346 -0.304 17518
6555 1 12 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.161 -0.937 17518
6556 1 12 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.149 0.460 17518
6557 1 12 . 1 1 57 57 GLN H H 476 7.139 7.139 7.457 -0.318 17518
6558 1 12 . 1 1 58 58 LEU N N 477 121.156 121.156 120.749 0.407 17518
6559 1 12 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.063 -0.317 17518
6560 1 12 . 1 1 58 58 LEU C C 477 173.922 173.922 174.163 -0.241 17518
6561 1 12 . 1 1 58 58 LEU CA C 477 53.508 53.508 53.525 -0.017 17518
6562 1 12 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.194 1.086 17518
6563 1 12 . 1 1 58 58 LEU H H 477 9.149 9.149 9.307 -0.158 17518
6564 1 12 . 1 1 59 59 GLU N N 478 126.375 126.375 124.737 1.638 17518
6565 1 12 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.008 0.348 17518
6566 1 12 . 1 1 59 59 GLU C C 478 175.481 175.481 175.190 0.291 17518
6567 1 12 . 1 1 59 59 GLU CA C 478 54.597 54.597 55.257 -0.660 17518
6568 1 12 . 1 1 59 59 GLU CB C 478 32.759 32.759 32.664 0.095 17518
6569 1 12 . 1 1 59 59 GLU H H 478 8.558 8.558 9.061 -0.503 17518
6570 1 12 . 1 1 60 60 ALA N N 479 124.321 124.321 125.929 -1.608 17518
6571 1 12 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.838 -0.046 17518
6572 1 12 . 1 1 60 60 ALA C C 479 174.955 174.955 175.244 -0.289 17518
6573 1 12 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.407 0.734 17518
6574 1 12 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.827 1.267 17518
6575 1 12 . 1 1 60 60 ALA H H 479 9.614 9.614 8.364 1.250 17518
6576 1 12 . 1 1 61 61 ALA N N 480 120.954 120.954 121.955 -1.001 17518
6577 1 12 . 1 1 61 61 ALA HA H 480 4.794 4.794 4.910 -0.116 17518
6578 1 12 . 1 1 61 61 ALA C C 480 174.782 174.782 174.998 -0.216 17518
6579 1 12 . 1 1 61 61 ALA CA C 480 51.257 51.257 51.057 0.200 17518
6580 1 12 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.548 0.666 17518
6581 1 12 . 1 1 61 61 ALA H H 480 9.346 9.346 8.839 0.507 17518
6582 1 12 . 1 1 62 62 PHE N N 481 117.021 117.021 122.880 -5.859 17518
6583 1 12 . 1 1 62 62 PHE HA H 481 5.884 5.884 5.156 0.728 17518
6584 1 12 . 1 1 62 62 PHE C C 481 175.044 175.044 173.349 1.695 17518
6585 1 12 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.120 1.468 17518
6586 1 12 . 1 1 62 62 PHE CB C 481 43.263 43.263 43.139 0.124 17518
6587 1 12 . 1 1 62 62 PHE H H 481 8.351 8.351 8.833 -0.482 17518
6588 1 12 . 1 1 63 63 ASN N N 482 116.362 116.362 122.088 -5.726 17518
6589 1 12 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.481 0.627 17518
6590 1 12 . 1 1 63 63 ASN C C 482 172.088 172.088 174.306 -2.218 17518
6591 1 12 . 1 1 63 63 ASN CA C 482 53.710 53.710 52.130 1.580 17518
6592 1 12 . 1 1 63 63 ASN CB C 482 41.348 41.348 41.022 0.326 17518
6593 1 12 . 1 1 63 63 ASN H H 482 9.077 9.077 8.567 0.510 17518
6594 1 12 . 1 1 64 64 ASP N N 483 118.002 118.002 121.022 -3.020 17518
6595 1 12 . 1 1 64 64 ASP HA H 483 4.184 4.184 3.946 0.238 17518
6596 1 12 . 1 1 64 64 ASP C C 483 177.271 177.271 177.443 -0.172 17518
6597 1 12 . 1 1 64 64 ASP CA C 483 52.301 52.301 54.307 -2.006 17518
6598 1 12 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.318 1.569 17518
6599 1 12 . 1 1 64 64 ASP H H 483 7.482 7.482 8.079 -0.597 17518
6600 1 12 . 1 1 65 65 GLY N N 484 110.602 110.602 108.481 2.121 17518
6601 1 12 . 1 1 65 65 GLY C C 484 173.156 173.156 174.020 -0.864 17518
6602 1 12 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.649 -0.034 17518
6603 1 12 . 1 1 65 65 GLY H H 484 8.696 8.696 7.641 1.055 17518
6604 1 12 . 1 1 66 66 ASN N N 485 120.867 120.867 119.617 1.250 17518
6605 1 12 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.579 0.125 17518
6606 1 12 . 1 1 66 66 ASN C C 485 174.442 174.442 174.904 -0.462 17518
6607 1 12 . 1 1 66 66 ASN CA C 485 52.311 52.311 55.078 -2.767 17518
6608 1 12 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.091 0.400 17518
6609 1 12 . 1 1 66 66 ASN H H 485 8.371 8.371 8.391 -0.020 17518
6610 1 12 . 1 1 67 67 ASN N N 486 113.518 113.518 114.660 -1.142 17518
6611 1 12 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.878 -0.700 17518
6612 1 12 . 1 1 67 67 ASN C C 486 173.845 173.845 173.612 0.233 17518
6613 1 12 . 1 1 67 67 ASN CA C 486 54.486 54.486 53.014 1.472 17518
6614 1 12 . 1 1 67 67 ASN CB C 486 38.267 38.267 41.000 -2.733 17518
6615 1 12 . 1 1 67 67 ASN H H 486 8.700 8.700 8.238 0.462 17518
6616 1 12 . 1 1 68 68 ASN N N 487 118.464 118.464 119.985 -1.521 17518
6617 1 12 . 1 1 68 68 ASN HA H 487 5.058 5.058 5.101 -0.043 17518
6618 1 12 . 1 1 68 68 ASN C C 487 173.449 173.449 173.378 0.071 17518
6619 1 12 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.709 0.559 17518
6620 1 12 . 1 1 68 68 ASN CB C 487 38.813 38.813 40.332 -1.519 17518
6621 1 12 . 1 1 68 68 ASN H H 487 7.975 7.975 8.603 -0.628 17518
6622 1 12 . 1 1 69 69 TRP N N 488 120.817 120.817 122.550 -1.733 17518
6623 1 12 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.895 -0.073 17518
6624 1 12 . 1 1 69 69 TRP C C 488 176.268 176.268 176.128 0.140 17518
6625 1 12 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.783 1.395 17518
6626 1 12 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.851 0.480 17518
6627 1 12 . 1 1 69 69 TRP H H 488 8.771 8.771 8.689 0.082 17518
6628 1 12 . 1 1 70 70 ASP N N 489 122.179 122.179 120.035 2.144 17518
6629 1 12 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.061 0.135 17518
6630 1 12 . 1 1 70 70 ASP C C 489 175.441 175.441 174.543 0.898 17518
6631 1 12 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.656 -1.311 17518
6632 1 12 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.343 -1.375 17518
6633 1 12 . 1 1 70 70 ASP H H 489 9.795 9.795 8.797 0.998 17518
6634 1 12 . 1 1 71 71 SER N N 490 117.314 117.314 119.246 -1.932 17518
6635 1 12 . 1 1 71 71 SER HA H 490 5.084 5.084 4.193 0.891 17518
6636 1 12 . 1 1 71 71 SER C C 490 175.277 175.277 173.932 1.345 17518
6637 1 12 . 1 1 71 71 SER CA C 490 56.099 56.099 56.897 -0.798 17518
6638 1 12 . 1 1 71 71 SER CB C 490 66.550 66.550 65.817 0.733 17518
6639 1 12 . 1 1 71 71 SER H H 490 9.238 9.238 8.282 0.956 17518
6640 1 12 . 1 1 72 72 ASN N N 491 122.911 122.911 124.808 -1.897 17518
6641 1 12 . 1 1 72 72 ASN HA H 491 4.367 4.367 4.249 0.118 17518
6642 1 12 . 1 1 72 72 ASN C C 491 176.857 176.857 175.275 1.582 17518
6643 1 12 . 1 1 72 72 ASN CA C 491 53.192 53.192 54.470 -1.278 17518
6644 1 12 . 1 1 72 72 ASN CB C 491 35.574 35.574 37.478 -1.905 17518
6645 1 12 . 1 1 72 72 ASN H H 491 8.536 8.536 6.922 1.614 17518
6646 1 12 . 1 1 73 73 ASN N N 492 116.146 116.146 115.319 0.827 17518
6647 1 12 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.434 -0.049 17518
6648 1 12 . 1 1 73 73 ASN C C 492 176.335 176.335 174.467 1.868 17518
6649 1 12 . 1 1 73 73 ASN CA C 492 54.488 54.488 55.945 -1.457 17518
6650 1 12 . 1 1 73 73 ASN CB C 492 37.331 37.331 37.700 -0.369 17518
6651 1 12 . 1 1 73 73 ASN H H 492 9.086 9.086 8.508 0.578 17518
6652 1 12 . 1 1 74 74 THR N N 493 110.420 110.420 111.739 -1.319 17518
6653 1 12 . 1 1 74 74 THR HA H 493 3.779 3.779 4.303 -0.524 17518
6654 1 12 . 1 1 74 74 THR C C 493 173.194 173.194 172.821 0.373 17518
6655 1 12 . 1 1 74 74 THR CA C 493 65.027 65.027 62.884 2.143 17518
6656 1 12 . 1 1 74 74 THR CB C 493 69.730 69.730 68.625 1.105 17518
6657 1 12 . 1 1 74 74 THR H H 493 7.782 7.782 8.370 -0.588 17518
6658 1 12 . 1 1 75 75 LYS N N 494 121.968 121.968 120.100 1.868 17518
6659 1 12 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.430 -0.363 17518
6660 1 12 . 1 1 75 75 LYS C C 494 177.470 177.470 174.547 2.923 17518
6661 1 12 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.150 1.859 17518
6662 1 12 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.522 -2.936 17518
6663 1 12 . 1 1 75 75 LYS H H 494 7.652 7.652 8.561 -0.909 17518
6664 1 12 . 1 1 76 76 ASN N N 495 108.525 108.525 115.175 -6.650 17518
6665 1 12 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.520 -0.590 17518
6666 1 12 . 1 1 76 76 ASN C C 495 172.085 172.085 173.432 -1.347 17518
6667 1 12 . 1 1 76 76 ASN CA C 495 54.413 54.413 53.222 1.191 17518
6668 1 12 . 1 1 76 76 ASN CB C 495 39.048 39.048 39.606 -0.558 17518
6669 1 12 . 1 1 76 76 ASN H H 495 8.197 8.197 7.793 0.404 17518
6670 1 12 . 1 1 77 77 TYR N N 496 118.076 118.076 122.240 -4.164 17518
6671 1 12 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.576 0.217 17518
6672 1 12 . 1 1 77 77 TYR C C 496 175.074 175.074 174.897 0.177 17518
6673 1 12 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.756 -0.085 17518
6674 1 12 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.259 1.526 17518
6675 1 12 . 1 1 77 77 TYR H H 496 9.133 9.133 8.439 0.694 17518
6676 1 12 . 1 1 78 78 SER N N 497 116.400 116.400 115.439 0.961 17518
6677 1 12 . 1 1 78 78 SER HA H 497 5.345 5.345 4.655 0.690 17518
6678 1 12 . 1 1 78 78 SER C C 497 173.130 173.130 172.923 0.207 17518
6679 1 12 . 1 1 78 78 SER CA C 497 57.191 57.191 56.444 0.747 17518
6680 1 12 . 1 1 78 78 SER CB C 497 64.293 64.293 64.235 0.058 17518
6681 1 12 . 1 1 78 78 SER H H 497 8.204 8.204 8.267 -0.063 17518
6682 1 12 . 1 1 79 79 PHE N N 498 123.023 123.023 125.512 -2.489 17518
6683 1 12 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.937 -0.127 17518
6684 1 12 . 1 1 79 79 PHE C C 498 175.275 175.275 174.431 0.844 17518
6685 1 12 . 1 1 79 79 PHE CA C 498 57.007 57.007 55.978 1.029 17518
6686 1 12 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.378 -0.389 17518
6687 1 12 . 1 1 79 79 PHE H H 498 9.054 9.054 9.122 -0.068 17518
6688 1 12 . 1 1 80 80 SER N N 499 117.002 117.002 116.995 0.007 17518
6689 1 12 . 1 1 80 80 SER HA H 499 4.997 4.997 4.825 0.172 17518
6690 1 12 . 1 1 80 80 SER C C 499 173.356 173.356 174.947 -1.591 17518
6691 1 12 . 1 1 80 80 SER CA C 499 57.357 57.357 57.588 -0.231 17518
6692 1 12 . 1 1 80 80 SER CB C 499 65.301 65.301 64.639 0.662 17518
6693 1 12 . 1 1 80 80 SER H H 499 8.804 8.804 8.871 -0.067 17518
6694 1 12 . 1 1 81 81 THR N N 500 112.529 112.529 114.531 -2.002 17518
6695 1 12 . 1 1 81 81 THR HA H 500 3.820 3.820 3.971 -0.151 17518
6696 1 12 . 1 1 81 81 THR C C 500 174.378 174.378 175.020 -0.642 17518
6697 1 12 . 1 1 81 81 THR CA C 500 64.220 64.220 63.702 0.518 17518
6698 1 12 . 1 1 81 81 THR CB C 500 69.475 69.475 68.724 0.751 17518
6699 1 12 . 1 1 81 81 THR H H 500 7.559 7.559 8.426 -0.867 17518
6700 1 12 . 1 1 82 82 GLY N N 501 112.234 112.234 113.483 -1.249 17518
6701 1 12 . 1 1 82 82 GLY C C 501 174.342 174.342 172.003 2.339 17518
6702 1 12 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.608 -0.813 17518
6703 1 12 . 1 1 82 82 GLY H H 501 8.409 8.409 8.307 0.102 17518
6704 1 12 . 1 1 83 83 THR N N 502 120.411 120.411 117.276 3.135 17518
6705 1 12 . 1 1 83 83 THR HA H 502 5.487 5.487 5.175 0.312 17518
6706 1 12 . 1 1 83 83 THR C C 502 174.798 174.798 173.088 1.710 17518
6707 1 12 . 1 1 83 83 THR CA C 502 62.497 62.497 61.060 1.437 17518
6708 1 12 . 1 1 83 83 THR CB C 502 69.978 69.978 71.141 -1.164 17518
6709 1 12 . 1 1 83 83 THR H H 502 8.729 8.729 8.130 0.599 17518
6710 1 12 . 1 1 84 84 SER N N 503 123.023 123.023 120.548 2.475 17518
6711 1 12 . 1 1 84 84 SER HA H 503 5.409 5.409 5.122 0.287 17518
6712 1 12 . 1 1 84 84 SER C C 503 171.976 171.976 173.007 -1.031 17518
6713 1 12 . 1 1 84 84 SER CA C 503 58.675 58.675 56.444 2.231 17518
6714 1 12 . 1 1 84 84 SER CB C 503 67.607 67.607 65.927 1.680 17518
6715 1 12 . 1 1 84 84 SER H H 503 9.121 9.121 9.089 0.032 17518
6716 1 12 . 1 1 85 85 THR N N 504 118.388 118.388 118.601 -0.213 17518
6717 1 12 . 1 1 85 85 THR HA H 504 5.241 5.241 5.171 0.070 17518
6718 1 12 . 1 1 85 85 THR C C 504 172.930 172.930 172.763 0.167 17518
6719 1 12 . 1 1 85 85 THR CA C 504 62.672 62.672 61.679 0.993 17518
6720 1 12 . 1 1 85 85 THR CB C 504 70.641 70.641 71.251 -0.610 17518
6721 1 12 . 1 1 85 85 THR H H 504 9.445 9.445 8.560 0.885 17518
6722 1 12 . 1 1 86 86 TYR N N 505 129.195 129.195 128.638 0.557 17518
6723 1 12 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.503 -0.394 17518
6724 1 12 . 1 1 86 86 TYR C C 505 173.063 173.063 173.719 -0.656 17518
6725 1 12 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.571 1.709 17518
6726 1 12 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.026 -0.366 17518
6727 1 12 . 1 1 86 86 TYR H H 505 9.858 9.858 9.636 0.222 17518
6728 1 12 . 1 1 87 87 THR N N 506 124.861 124.861 123.097 1.764 17518
6729 1 12 . 1 1 87 87 THR HA H 506 4.288 4.288 4.646 -0.358 17518
6730 1 12 . 1 1 87 87 THR C C 506 171.472 171.472 171.629 -0.157 17518
6731 1 12 . 1 1 87 87 THR CA C 506 58.917 58.917 58.495 0.422 17518
6732 1 12 . 1 1 87 87 THR CB C 506 70.055 70.055 71.167 -1.112 17518
6733 1 12 . 1 1 87 87 THR H H 506 7.906 7.906 8.857 -0.951 17518
6734 1 12 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.460 -0.454 17518
6735 1 12 . 1 1 88 88 PRO C C 507 176.975 176.975 176.604 0.371 17518
6736 1 12 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.395 0.603 17518
6737 1 12 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.673 -0.299 17518
6738 1 12 . 1 1 89 89 GLY N N 508 108.823 108.823 109.557 -0.734 17518
6739 1 12 . 1 1 89 89 GLY C C 508 173.757 173.757 173.454 0.303 17518
6740 1 12 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.435 -0.357 17518
6741 1 12 . 1 1 89 89 GLY H H 508 8.294 8.294 8.366 -0.072 17518
6742 1 12 . 1 1 90 90 ASN N N 509 117.850 117.850 117.526 0.324 17518
6743 1 12 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.695 0.028 17518
6744 1 12 . 1 1 90 90 ASN C C 509 176.078 176.078 175.049 1.029 17518
6745 1 12 . 1 1 90 90 ASN CA C 509 52.906 52.906 54.118 -1.212 17518
6746 1 12 . 1 1 90 90 ASN CB C 509 39.922 39.922 39.075 0.848 17518
6747 1 12 . 1 1 90 90 ASN H H 509 8.434 8.434 7.847 0.587 17518
6748 1 12 . 1 1 91 91 SER N N 510 114.973 114.973 118.966 -3.993 17518
6749 1 12 . 1 1 91 91 SER HA H 510 4.133 4.133 4.128 0.005 17518
6750 1 12 . 1 1 91 91 SER C C 510 174.773 174.773 175.928 -1.155 17518
6751 1 12 . 1 1 91 91 SER CA C 510 58.662 58.662 60.240 -1.578 17518
6752 1 12 . 1 1 91 91 SER CB C 510 62.209 62.209 62.430 -0.221 17518
6753 1 12 . 1 1 91 91 SER H H 510 8.819 8.819 8.700 0.119 17518
6754 1 12 . 1 1 92 92 GLY N N 511 108.552 108.552 111.782 -3.230 17518
6755 1 12 . 1 1 92 92 GLY C C 511 174.613 174.613 174.357 0.256 17518
6756 1 12 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.638 -0.375 17518
6757 1 12 . 1 1 92 92 GLY H H 511 8.472 8.472 8.508 -0.036 17518
6758 1 12 . 1 1 93 93 ASN N N 512 119.035 119.035 119.473 -0.438 17518
6759 1 12 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.853 -0.083 17518
6760 1 12 . 1 1 93 93 ASN C C 512 174.627 174.627 173.867 0.760 17518
6761 1 12 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.787 0.046 17518
6762 1 12 . 1 1 93 93 ASN CB C 512 39.771 39.771 40.713 -0.942 17518
6763 1 12 . 1 1 93 93 ASN H H 512 7.985 7.985 7.518 0.467 17518
6764 1 12 . 1 1 94 94 ALA N N 513 123.854 123.854 123.515 0.339 17518
6765 1 12 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.559 0.045 17518
6766 1 12 . 1 1 94 94 ALA C C 513 178.511 178.511 177.034 1.477 17518
6767 1 12 . 1 1 94 94 ALA CA C 513 52.699 52.699 52.013 0.686 17518
6768 1 12 . 1 1 94 94 ALA CB C 513 20.408 20.408 19.593 0.815 17518
6769 1 12 . 1 1 94 94 ALA H H 513 8.442 8.442 8.698 -0.256 17518
6770 1 12 . 1 1 95 95 GLY N N 514 108.880 108.880 111.980 -3.100 17518
6771 1 12 . 1 1 95 95 GLY C C 514 173.104 173.104 174.492 -1.388 17518
6772 1 12 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.947 -1.052 17518
6773 1 12 . 1 1 95 95 GLY H H 514 8.353 8.353 8.465 -0.112 17518
6774 1 12 . 1 1 96 96 THR N N 515 110.444 110.444 116.803 -6.359 17518
6775 1 12 . 1 1 96 96 THR HA H 515 4.504 4.504 4.615 -0.111 17518
6776 1 12 . 1 1 96 96 THR C C 515 173.214 173.214 174.128 -0.914 17518
6777 1 12 . 1 1 96 96 THR CA C 515 60.947 60.947 61.492 -0.545 17518
6778 1 12 . 1 1 96 96 THR CB C 515 72.111 72.111 70.727 1.384 17518
6779 1 12 . 1 1 96 96 THR H H 515 7.839 7.839 8.418 -0.579 17518
6780 1 12 . 1 1 97 97 ILE N N 516 126.770 126.770 125.100 1.670 17518
6781 1 12 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.320 -0.349 17518
6782 1 12 . 1 1 97 97 ILE C C 516 176.061 176.061 175.737 0.324 17518
6783 1 12 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.830 1.215 17518
6784 1 12 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.154 -0.412 17518
6785 1 12 . 1 1 97 97 ILE H H 516 8.733 8.733 8.542 0.191 17518
6786 1 12 . 1 1 98 98 THR N N 517 121.307 121.307 120.040 1.267 17518
6787 1 12 . 1 1 98 98 THR HA H 517 4.693 4.693 4.700 -0.007 17518
6788 1 12 . 1 1 98 98 THR C C 517 173.622 173.622 173.456 0.166 17518
6789 1 12 . 1 1 98 98 THR CA C 517 59.692 59.692 60.155 -0.463 17518
6790 1 12 . 1 1 98 98 THR CB C 517 71.290 71.290 70.914 0.376 17518
6791 1 12 . 1 1 98 98 THR H H 517 9.270 9.270 8.993 0.277 17518
6792 1 12 . 1 1 99 99 SER N N 518 118.544 118.544 119.307 -0.763 17518
6793 1 12 . 1 1 99 99 SER HA H 518 4.548 4.548 4.532 0.016 17518
6794 1 12 . 1 1 99 99 SER C C 518 175.405 175.405 173.788 1.617 17518
6795 1 12 . 1 1 99 99 SER CA C 518 59.662 59.662 58.238 1.424 17518
6796 1 12 . 1 1 99 99 SER CB C 518 63.836 63.836 62.687 1.149 17518
6797 1 12 . 1 1 99 99 SER H H 518 8.667 8.667 8.616 0.051 17518
6798 1 12 . 1 1 100 100 GLY N N 519 113.982 113.982 111.268 2.714 17518
6799 1 12 . 1 1 100 100 GLY C C 519 171.714 171.714 172.903 -1.189 17518
6800 1 12 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.312 -0.239 17518
6801 1 12 . 1 1 100 100 GLY H H 519 8.443 8.443 7.494 0.949 17518
6802 1 12 . 1 1 101 101 ALA N N 520 120.741 120.741 125.681 -4.940 17518
6803 1 12 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.663 -1.056 17518
6804 1 12 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.834 -1.371 17518
6805 1 12 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.031 -0.900 17518
6806 1 12 . 1 1 101 101 ALA H H 520 7.908 7.908 8.283 -0.375 17518
6807 1 12 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.361 -0.319 17518
6808 1 12 . 1 1 102 102 PRO C C 521 175.467 175.467 176.359 -0.892 17518
6809 1 12 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.736 -0.038 17518
6810 1 12 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.260 -0.396 17518
6811 1 12 . 1 1 103 103 ALA N N 522 122.930 122.930 126.234 -3.304 17518
6812 1 12 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.513 -0.400 17518
6813 1 12 . 1 1 103 103 ALA C C 522 177.009 177.009 178.189 -1.180 17518
6814 1 12 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.527 0.429 17518
6815 1 12 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.355 1.334 17518
6816 1 12 . 1 1 103 103 ALA H H 522 7.993 7.993 8.378 -0.385 17518
6817 1 13 . 1 1 2 2 GLY C C 421 174.167 174.167 173.767 0.400 17518
6818 1 13 . 1 1 2 2 GLY CA C 421 45.259 45.259 45.452 -0.193 17518
6819 1 13 . 1 1 3 3 THR N N 422 113.380 113.380 114.453 -1.073 17518
6820 1 13 . 1 1 3 3 THR HA H 422 4.348 4.348 4.445 -0.097 17518
6821 1 13 . 1 1 3 3 THR C C 422 174.773 174.773 174.768 0.005 17518
6822 1 13 . 1 1 3 3 THR CA C 422 61.357 61.357 61.705 -0.348 17518
6823 1 13 . 1 1 3 3 THR CB C 422 69.791 69.791 69.109 0.682 17518
6824 1 13 . 1 1 3 3 THR H H 422 8.099 8.099 8.587 -0.488 17518
6825 1 13 . 1 1 4 4 GLY N N 423 113.124 113.124 110.228 2.896 17518
6826 1 13 . 1 1 4 4 GLY C C 423 173.909 173.909 173.002 0.907 17518
6827 1 13 . 1 1 4 4 GLY CA C 423 45.058 45.058 44.807 0.251 17518
6828 1 13 . 1 1 4 4 GLY H H 423 8.770 8.770 8.212 0.558 17518
6829 1 13 . 1 1 5 5 ASN N N 424 121.226 121.226 118.873 2.353 17518
6830 1 13 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.863 -0.289 17518
6831 1 13 . 1 1 5 5 ASN C C 424 174.450 174.450 173.519 0.931 17518
6832 1 13 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.500 0.737 17518
6833 1 13 . 1 1 5 5 ASN CB C 424 38.520 38.520 41.410 -2.890 17518
6834 1 13 . 1 1 5 5 ASN H H 424 8.988 8.988 8.482 0.506 17518
6835 1 13 . 1 1 6 6 LYS N N 425 119.587 119.587 121.475 -1.888 17518
6836 1 13 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.512 0.617 17518
6837 1 13 . 1 1 6 6 LYS C C 425 176.281 176.281 174.617 1.664 17518
6838 1 13 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.231 -0.837 17518
6839 1 13 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.486 -0.038 17518
6840 1 13 . 1 1 6 6 LYS H H 425 8.354 8.354 8.376 -0.022 17518
6841 1 13 . 1 1 7 7 VAL N N 426 124.203 124.203 126.522 -2.319 17518
6842 1 13 . 1 1 7 7 VAL HA H 426 4.462 4.462 5.162 -0.700 17518
6843 1 13 . 1 1 7 7 VAL C C 426 174.564 174.564 174.913 -0.349 17518
6844 1 13 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.026 1.343 17518
6845 1 13 . 1 1 7 7 VAL CB C 426 34.432 34.432 34.373 0.059 17518
6846 1 13 . 1 1 7 7 VAL H H 426 8.774 8.774 8.913 -0.139 17518
6847 1 13 . 1 1 8 8 THR N N 427 125.363 125.363 123.923 1.440 17518
6848 1 13 . 1 1 8 8 THR HA H 427 5.326 5.326 5.189 0.137 17518
6849 1 13 . 1 1 8 8 THR C C 427 173.108 173.108 172.992 0.116 17518
6850 1 13 . 1 1 8 8 THR CA C 427 61.752 61.752 61.534 0.218 17518
6851 1 13 . 1 1 8 8 THR CB C 427 69.860 69.860 70.673 -0.813 17518
6852 1 13 . 1 1 8 8 THR H H 427 8.851 8.851 9.125 -0.274 17518
6853 1 13 . 1 1 9 9 ILE N N 428 127.015 127.015 126.735 0.280 17518
6854 1 13 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.788 -0.132 17518
6855 1 13 . 1 1 9 9 ILE C C 428 175.404 175.404 174.203 1.201 17518
6856 1 13 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.326 -0.446 17518
6857 1 13 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.812 1.379 17518
6858 1 13 . 1 1 9 9 ILE H H 428 8.628 8.628 9.254 -0.626 17518
6859 1 13 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.442 -0.273 17518
6860 1 13 . 1 1 10 10 TYR C C 429 174.161 174.161 174.884 -0.723 17518
6861 1 13 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.264 2.987 17518
6862 1 13 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.110 1.273 17518
6863 1 13 . 1 1 10 10 TYR H H 429 9.069 9.069 9.126 -0.057 17518
6864 1 13 . 1 1 11 11 TYR N N 430 125.905 125.905 125.759 0.146 17518
6865 1 13 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.693 -0.703 17518
6866 1 13 . 1 1 11 11 TYR C C 430 173.359 173.359 174.264 -0.905 17518
6867 1 13 . 1 1 11 11 TYR CA C 430 56.630 56.630 54.722 1.908 17518
6868 1 13 . 1 1 11 11 TYR CB C 430 42.942 42.942 42.020 0.922 17518
6869 1 13 . 1 1 11 11 TYR H H 430 9.500 9.500 8.997 0.503 17518
6870 1 13 . 1 1 12 12 LYS N N 431 131.688 131.688 125.266 6.422 17518
6871 1 13 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.214 1.148 17518
6872 1 13 . 1 1 12 12 LYS C C 431 172.929 172.929 174.485 -1.556 17518
6873 1 13 . 1 1 12 12 LYS CA C 431 55.867 55.867 54.912 0.955 17518
6874 1 13 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.347 0.824 17518
6875 1 13 . 1 1 12 12 LYS H H 431 8.410 8.410 7.834 0.576 17518
6876 1 13 . 1 1 13 13 LYS N N 432 125.124 125.124 125.359 -0.235 17518
6877 1 13 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.743 0.129 17518
6878 1 13 . 1 1 13 13 LYS C C 432 180.107 180.107 176.245 3.862 17518
6879 1 13 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.514 -4.006 17518
6880 1 13 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.331 -0.677 17518
6881 1 13 . 1 1 14 14 GLY N N 433 112.761 112.761 112.577 0.184 17518
6882 1 13 . 1 1 14 14 GLY C C 433 174.180 174.180 174.491 -0.311 17518
6883 1 13 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.312 1.030 17518
6884 1 13 . 1 1 14 14 GLY H H 433 7.585 7.585 8.605 -1.020 17518
6885 1 13 . 1 1 15 15 PHE N N 434 121.529 121.529 119.341 2.188 17518
6886 1 13 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.528 0.163 17518
6887 1 13 . 1 1 15 15 PHE C C 434 175.899 175.899 174.527 1.372 17518
6888 1 13 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.593 -2.436 17518
6889 1 13 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.058 -1.586 17518
6890 1 13 . 1 1 15 15 PHE H H 434 8.454 8.454 7.963 0.491 17518
6891 1 13 . 1 1 16 16 ASN N N 435 117.583 117.583 112.001 5.582 17518
6892 1 13 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.599 -0.200 17518
6893 1 13 . 1 1 16 16 ASN C C 435 176.259 176.259 173.653 2.606 17518
6894 1 13 . 1 1 16 16 ASN CA C 435 56.521 56.521 53.681 2.840 17518
6895 1 13 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.052 1.314 17518
6896 1 13 . 1 1 16 16 ASN H H 435 8.513 8.513 8.204 0.309 17518
6897 1 13 . 1 1 17 17 SER N N 436 112.889 112.889 115.202 -2.313 17518
6898 1 13 . 1 1 17 17 SER HA H 436 4.798 4.798 4.736 0.062 17518
6899 1 13 . 1 1 17 17 SER C C 436 171.151 171.151 171.620 -0.469 17518
6900 1 13 . 1 1 17 17 SER CA C 436 53.721 53.721 55.962 -2.241 17518
6901 1 13 . 1 1 17 17 SER CB C 436 63.834 63.834 64.195 -0.361 17518
6902 1 13 . 1 1 17 17 SER H H 436 8.315 8.315 7.892 0.423 17518
6903 1 13 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.400 0.162 17518
6904 1 13 . 1 1 18 18 PRO C C 437 175.812 175.812 175.504 0.308 17518
6905 1 13 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.599 0.018 17518
6906 1 13 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.612 0.162 17518
6907 1 13 . 1 1 19 19 TYR N N 438 122.060 122.060 118.663 3.397 17518
6908 1 13 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.785 0.045 17518
6909 1 13 . 1 1 19 19 TYR C C 438 174.732 174.732 174.950 -0.218 17518
6910 1 13 . 1 1 19 19 TYR CA C 438 56.729 56.729 57.036 -0.307 17518
6911 1 13 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.069 -0.311 17518
6912 1 13 . 1 1 19 19 TYR H H 438 9.072 9.072 9.013 0.059 17518
6913 1 13 . 1 1 20 20 ILE N N 439 118.018 118.018 121.403 -3.385 17518
6914 1 13 . 1 1 20 20 ILE HA H 439 4.988 4.988 5.086 -0.098 17518
6915 1 13 . 1 1 20 20 ILE C C 439 171.341 171.341 174.708 -3.367 17518
6916 1 13 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.344 -0.771 17518
6917 1 13 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.086 0.572 17518
6918 1 13 . 1 1 20 20 ILE H H 439 9.164 9.164 9.016 0.148 17518
6919 1 13 . 1 1 21 21 HIS N N 440 133.346 133.346 130.453 2.893 17518
6920 1 13 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.864 0.511 17518
6921 1 13 . 1 1 21 21 HIS C C 440 174.947 174.947 173.483 1.464 17518
6922 1 13 . 1 1 21 21 HIS CA C 440 53.801 53.801 55.214 -1.413 17518
6923 1 13 . 1 1 21 21 HIS CB C 440 35.001 35.001 30.819 4.182 17518
6924 1 13 . 1 1 21 21 HIS H H 440 8.843 8.843 8.687 0.156 17518
6925 1 13 . 1 1 22 22 TYR N N 441 121.863 121.863 123.198 -1.335 17518
6926 1 13 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.634 0.423 17518
6927 1 13 . 1 1 22 22 TYR C C 441 173.567 173.567 173.309 0.258 17518
6928 1 13 . 1 1 22 22 TYR CA C 441 56.693 56.693 55.198 1.495 17518
6929 1 13 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.916 0.880 17518
6930 1 13 . 1 1 22 22 TYR H H 441 8.231 8.231 7.576 0.655 17518
6931 1 13 . 1 1 23 23 ARG N N 442 116.788 116.788 120.710 -3.922 17518
6932 1 13 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.716 -0.085 17518
6933 1 13 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.885 -0.525 17518
6934 1 13 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.423 -1.109 17518
6935 1 13 . 1 1 23 23 ARG H H 442 8.456 8.456 9.043 -0.587 17518
6936 1 13 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.486 0.021 17518
6937 1 13 . 1 1 24 24 PRO C C 443 176.258 176.258 175.924 0.334 17518
6938 1 13 . 1 1 24 24 PRO CA C 443 62.244 62.244 62.002 0.242 17518
6939 1 13 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.285 -0.088 17518
6940 1 13 . 1 1 25 25 ALA N N 444 125.666 125.666 125.814 -0.148 17518
6941 1 13 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.930 0.028 17518
6942 1 13 . 1 1 25 25 ALA C C 444 179.221 179.221 177.481 1.740 17518
6943 1 13 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.348 0.832 17518
6944 1 13 . 1 1 25 25 ALA CB C 444 18.420 18.420 17.921 0.499 17518
6945 1 13 . 1 1 25 25 ALA H H 444 8.230 8.230 8.159 0.071 17518
6946 1 13 . 1 1 26 26 GLY N N 445 112.217 112.217 109.848 2.369 17518
6947 1 13 . 1 1 26 26 GLY C C 445 174.734 174.734 174.371 0.363 17518
6948 1 13 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.585 1.077 17518
6949 1 13 . 1 1 26 26 GLY H H 445 8.591 8.591 7.768 0.823 17518
6950 1 13 . 1 1 27 27 GLY N N 446 109.489 109.489 109.491 -0.002 17518
6951 1 13 . 1 1 27 27 GLY C C 446 173.379 173.379 173.025 0.354 17518
6952 1 13 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.185 -0.068 17518
6953 1 13 . 1 1 27 27 GLY H H 446 8.380 8.380 8.428 -0.048 17518
6954 1 13 . 1 1 28 28 SER N N 447 117.275 117.275 114.612 2.663 17518
6955 1 13 . 1 1 28 28 SER HA H 447 4.637 4.637 4.590 0.047 17518
6956 1 13 . 1 1 28 28 SER C C 447 173.759 173.759 173.565 0.194 17518
6957 1 13 . 1 1 28 28 SER CA C 447 57.410 57.410 57.259 0.151 17518
6958 1 13 . 1 1 28 28 SER CB C 447 65.022 65.022 65.153 -0.131 17518
6959 1 13 . 1 1 28 28 SER H H 447 8.585 8.585 8.168 0.416 17518
6960 1 13 . 1 1 29 29 TRP N N 448 123.426 123.426 122.485 0.941 17518
6961 1 13 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.337 0.056 17518
6962 1 13 . 1 1 29 29 TRP C C 448 178.997 178.997 177.057 1.940 17518
6963 1 13 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.784 0.382 17518
6964 1 13 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.215 0.391 17518
6965 1 13 . 1 1 29 29 TRP H H 448 8.346 8.346 8.468 -0.122 17518
6966 1 13 . 1 1 30 30 THR N N 449 111.168 111.168 113.965 -2.797 17518
6967 1 13 . 1 1 30 30 THR HA H 449 3.978 3.978 4.369 -0.391 17518
6968 1 13 . 1 1 30 30 THR C C 449 174.707 174.707 173.797 0.910 17518
6969 1 13 . 1 1 30 30 THR CA C 449 61.317 61.317 60.711 0.606 17518
6970 1 13 . 1 1 30 30 THR CB C 449 70.526 70.526 69.625 0.901 17518
6971 1 13 . 1 1 30 30 THR H H 449 7.888 7.888 7.884 0.004 17518
6972 1 13 . 1 1 31 31 ALA N N 450 122.982 122.982 124.282 -1.300 17518
6973 1 13 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.269 0.130 17518
6974 1 13 . 1 1 31 31 ALA C C 450 178.443 178.443 176.802 1.641 17518
6975 1 13 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.924 -0.040 17518
6976 1 13 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.171 -0.110 17518
6977 1 13 . 1 1 31 31 ALA H H 450 8.383 8.383 8.464 -0.081 17518
6978 1 13 . 1 1 32 32 ALA N N 451 129.780 129.780 127.133 2.647 17518
6979 1 13 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.578 -0.720 17518
6980 1 13 . 1 1 32 32 ALA C C 451 175.997 175.997 176.094 -0.097 17518
6981 1 13 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.646 1.165 17518
6982 1 13 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.585 -2.339 17518
6983 1 13 . 1 1 32 32 ALA H H 451 8.778 8.778 7.891 0.887 17518
6984 1 13 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.662 -0.818 17518
6985 1 13 . 1 1 33 33 PRO C C 452 173.297 173.297 177.064 -3.767 17518
6986 1 13 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.693 1.039 17518
6987 1 13 . 1 1 33 33 PRO CB C 452 33.646 33.646 32.330 1.316 17518
6988 1 13 . 1 1 34 34 GLY N N 453 112.150 112.150 113.254 -1.104 17518
6989 1 13 . 1 1 34 34 GLY C C 453 174.011 174.011 173.892 0.119 17518
6990 1 13 . 1 1 34 34 GLY CA C 453 43.995 43.995 46.244 -2.249 17518
6991 1 13 . 1 1 34 34 GLY H H 453 8.685 8.685 8.383 0.302 17518
6992 1 13 . 1 1 35 35 VAL N N 454 123.276 123.276 122.972 0.304 17518
6993 1 13 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.414 -0.068 17518
6994 1 13 . 1 1 35 35 VAL C C 454 174.782 174.782 175.453 -0.671 17518
6995 1 13 . 1 1 35 35 VAL CA C 454 60.959 60.959 60.108 0.851 17518
6996 1 13 . 1 1 35 35 VAL CB C 454 34.857 34.857 35.803 -0.946 17518
6997 1 13 . 1 1 35 35 VAL H H 454 9.287 9.287 8.531 0.756 17518
6998 1 13 . 1 1 36 36 LYS N N 455 128.135 128.135 130.060 -1.925 17518
6999 1 13 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.157 -1.096 17518
7000 1 13 . 1 1 36 36 LYS C C 455 176.438 176.438 176.299 0.139 17518
7001 1 13 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.794 0.429 17518
7002 1 13 . 1 1 36 36 LYS CB C 455 32.619 32.619 31.762 0.857 17518
7003 1 13 . 1 1 36 36 LYS H H 455 8.443 8.443 8.697 -0.254 17518
7004 1 13 . 1 1 37 37 MET N N 456 124.850 124.850 127.388 -2.538 17518
7005 1 13 . 1 1 37 37 MET HA H 456 4.207 4.207 4.191 0.016 17518
7006 1 13 . 1 1 37 37 MET C C 456 175.590 175.590 176.260 -0.670 17518
7007 1 13 . 1 1 37 37 MET CA C 456 56.409 56.409 57.639 -1.230 17518
7008 1 13 . 1 1 37 37 MET CB C 456 34.978 34.978 32.183 2.795 17518
7009 1 13 . 1 1 37 37 MET H H 456 8.121 8.121 8.426 -0.305 17518
7010 1 13 . 1 1 38 38 GLN N N 457 121.555 121.555 121.988 -0.433 17518
7011 1 13 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.108 0.285 17518
7012 1 13 . 1 1 38 38 GLN C C 457 175.737 175.737 175.821 -0.084 17518
7013 1 13 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.022 -1.239 17518
7014 1 13 . 1 1 38 38 GLN CB C 457 30.307 30.307 28.770 1.537 17518
7015 1 13 . 1 1 38 38 GLN H H 457 8.441 8.441 8.712 -0.271 17518
7016 1 13 . 1 1 39 39 ASP N N 458 121.629 121.629 118.872 2.757 17518
7017 1 13 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.661 0.070 17518
7018 1 13 . 1 1 39 39 ASP C C 458 176.733 176.733 175.358 1.375 17518
7019 1 13 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.159 2.098 17518
7020 1 13 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.790 -0.432 17518
7021 1 13 . 1 1 39 39 ASP H H 458 8.720 8.720 8.445 0.275 17518
7022 1 13 . 1 1 40 40 ALA N N 459 122.646 122.646 125.322 -2.676 17518
7023 1 13 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.650 -0.358 17518
7024 1 13 . 1 1 40 40 ALA C C 459 175.201 175.201 177.733 -2.532 17518
7025 1 13 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.254 0.302 17518
7026 1 13 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.777 2.171 17518
7027 1 13 . 1 1 40 40 ALA H H 459 8.423 8.423 8.795 -0.372 17518
7028 1 13 . 1 1 41 41 GLU N N 460 120.190 120.190 126.261 -6.071 17518
7029 1 13 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.921 0.386 17518
7030 1 13 . 1 1 41 41 GLU C C 460 174.722 174.722 177.746 -3.024 17518
7031 1 13 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.348 -0.829 17518
7032 1 13 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.151 -1.815 17518
7033 1 13 . 1 1 41 41 GLU H H 460 10.341 10.341 8.866 1.475 17518
7034 1 13 . 1 1 42 42 ILE N N 461 119.473 119.473 117.932 1.541 17518
7035 1 13 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.628 0.683 17518
7036 1 13 . 1 1 42 42 ILE C C 461 174.959 174.959 176.320 -1.361 17518
7037 1 13 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.180 -4.214 17518
7038 1 13 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.057 2.688 17518
7039 1 13 . 1 1 42 42 ILE H H 461 6.466 6.466 7.762 -1.296 17518
7040 1 13 . 1 1 43 43 SER N N 462 121.292 121.292 110.653 10.639 17518
7041 1 13 . 1 1 43 43 SER HA H 462 4.297 4.297 4.460 -0.163 17518
7042 1 13 . 1 1 43 43 SER C C 462 175.624 175.624 173.672 1.952 17518
7043 1 13 . 1 1 43 43 SER CA C 462 60.112 60.112 58.342 1.770 17518
7044 1 13 . 1 1 43 43 SER CB C 462 63.116 63.116 63.492 -0.376 17518
7045 1 13 . 1 1 43 43 SER H H 462 8.584 8.584 7.567 1.017 17518
7046 1 13 . 1 1 44 44 GLY N N 463 111.896 111.896 107.325 4.571 17518
7047 1 13 . 1 1 44 44 GLY C C 463 173.823 173.823 172.969 0.854 17518
7048 1 13 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.322 -0.443 17518
7049 1 13 . 1 1 44 44 GLY H H 463 8.623 8.623 7.876 0.747 17518
7050 1 13 . 1 1 45 45 TYR N N 464 116.379 116.379 119.752 -3.373 17518
7051 1 13 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.687 1.011 17518
7052 1 13 . 1 1 45 45 TYR C C 464 175.693 175.693 173.181 2.512 17518
7053 1 13 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.705 -0.093 17518
7054 1 13 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.601 -0.677 17518
7055 1 13 . 1 1 45 45 TYR H H 464 7.803 7.803 8.098 -0.295 17518
7056 1 13 . 1 1 46 46 ALA N N 465 126.206 126.206 120.216 5.990 17518
7057 1 13 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.392 -0.055 17518
7058 1 13 . 1 1 46 46 ALA C C 465 176.129 176.129 175.813 0.316 17518
7059 1 13 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.750 0.706 17518
7060 1 13 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.061 2.285 17518
7061 1 13 . 1 1 46 46 ALA H H 465 9.910 9.910 9.159 0.751 17518
7062 1 13 . 1 1 47 47 LYS N N 466 120.226 120.226 120.732 -0.506 17518
7063 1 13 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.330 0.342 17518
7064 1 13 . 1 1 47 47 LYS C C 466 173.880 173.880 174.711 -0.831 17518
7065 1 13 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.290 0.116 17518
7066 1 13 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.782 0.378 17518
7067 1 13 . 1 1 47 47 LYS H H 466 9.373 9.373 8.423 0.950 17518
7068 1 13 . 1 1 48 48 ILE N N 467 120.505 120.505 122.296 -1.791 17518
7069 1 13 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.540 -0.137 17518
7070 1 13 . 1 1 48 48 ILE C C 467 171.247 171.247 173.369 -2.122 17518
7071 1 13 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.407 -0.025 17518
7072 1 13 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.705 -0.171 17518
7073 1 13 . 1 1 48 48 ILE H H 467 8.085 8.085 8.933 -0.848 17518
7074 1 13 . 1 1 49 49 THR N N 468 122.247 122.247 124.031 -1.784 17518
7075 1 13 . 1 1 49 49 THR HA H 468 5.301 5.301 5.422 -0.121 17518
7076 1 13 . 1 1 49 49 THR C C 468 173.694 173.694 173.638 0.056 17518
7077 1 13 . 1 1 49 49 THR CA C 468 61.871 61.871 60.583 1.288 17518
7078 1 13 . 1 1 49 49 THR CB C 468 70.649 70.649 70.686 -0.037 17518
7079 1 13 . 1 1 49 49 THR H H 468 7.954 7.954 8.274 -0.320 17518
7080 1 13 . 1 1 50 50 VAL N N 469 126.076 126.076 124.343 1.733 17518
7081 1 13 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.128 -0.017 17518
7082 1 13 . 1 1 50 50 VAL C C 469 173.826 173.826 174.019 -0.193 17518
7083 1 13 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.724 -0.525 17518
7084 1 13 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.608 -0.559 17518
7085 1 13 . 1 1 50 50 VAL H H 469 9.242 9.242 9.058 0.184 17518
7086 1 13 . 1 1 51 51 ASP N N 470 126.346 126.346 125.126 1.220 17518
7087 1 13 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.796 0.117 17518
7088 1 13 . 1 1 51 51 ASP C C 470 177.013 177.013 176.279 0.734 17518
7089 1 13 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.024 -1.010 17518
7090 1 13 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.133 -0.214 17518
7091 1 13 . 1 1 51 51 ASP H H 470 8.476 8.476 8.557 -0.081 17518
7092 1 13 . 1 1 52 52 ILE N N 471 118.935 118.935 117.174 1.761 17518
7093 1 13 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.599 -0.061 17518
7094 1 13 . 1 1 52 52 ILE C C 471 176.991 176.991 176.082 0.909 17518
7095 1 13 . 1 1 52 52 ILE CA C 471 59.992 59.992 59.669 0.323 17518
7096 1 13 . 1 1 52 52 ILE CB C 471 38.002 38.002 38.986 -0.984 17518
7097 1 13 . 1 1 52 52 ILE H H 471 8.728 8.728 8.283 0.445 17518
7098 1 13 . 1 1 53 53 GLY N N 472 114.498 114.498 110.205 4.293 17518
7099 1 13 . 1 1 53 53 GLY C C 472 174.971 174.971 174.001 0.970 17518
7100 1 13 . 1 1 53 53 GLY CA C 472 47.668 47.668 47.059 0.608 17518
7101 1 13 . 1 1 53 53 GLY H H 472 9.078 9.078 9.409 -0.331 17518
7102 1 13 . 1 1 54 54 SER N N 473 120.546 120.546 115.998 4.548 17518
7103 1 13 . 1 1 54 54 SER HA H 473 4.426 4.426 4.257 0.169 17518
7104 1 13 . 1 1 54 54 SER C C 473 174.975 174.975 172.812 2.163 17518
7105 1 13 . 1 1 54 54 SER CA C 473 58.417 58.417 58.750 -0.333 17518
7106 1 13 . 1 1 54 54 SER CB C 473 63.632 63.632 64.080 -0.448 17518
7107 1 13 . 1 1 54 54 SER H H 473 8.808 8.808 8.365 0.443 17518
7108 1 13 . 1 1 55 55 ALA N N 474 125.402 125.402 124.417 0.985 17518
7109 1 13 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.704 -0.338 17518
7110 1 13 . 1 1 55 55 ALA C C 474 176.116 176.116 176.245 -0.129 17518
7111 1 13 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.113 1.259 17518
7112 1 13 . 1 1 55 55 ALA CB C 474 20.315 20.315 20.933 -0.618 17518
7113 1 13 . 1 1 55 55 ALA H H 474 7.738 7.738 8.138 -0.400 17518
7114 1 13 . 1 1 56 56 SER N N 475 110.149 110.149 115.813 -5.664 17518
7115 1 13 . 1 1 56 56 SER HA H 475 4.539 4.539 4.533 0.006 17518
7116 1 13 . 1 1 56 56 SER C C 475 173.662 173.662 173.723 -0.061 17518
7117 1 13 . 1 1 56 56 SER CA C 475 58.121 58.121 59.155 -1.034 17518
7118 1 13 . 1 1 56 56 SER CB C 475 65.000 65.000 63.653 1.347 17518
7119 1 13 . 1 1 56 56 SER H H 475 8.756 8.756 8.529 0.227 17518
7120 1 13 . 1 1 57 57 GLN N N 476 117.023 117.023 118.794 -1.771 17518
7121 1 13 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.648 0.410 17518
7122 1 13 . 1 1 57 57 GLN C C 476 173.042 173.042 172.985 0.057 17518
7123 1 13 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.291 -1.067 17518
7124 1 13 . 1 1 57 57 GLN CB C 476 33.609 33.609 32.569 1.040 17518
7125 1 13 . 1 1 57 57 GLN H H 476 7.139 7.139 7.410 -0.271 17518
7126 1 13 . 1 1 58 58 LEU N N 477 121.156 121.156 124.908 -3.752 17518
7127 1 13 . 1 1 58 58 LEU HA H 477 4.746 4.746 4.958 -0.212 17518
7128 1 13 . 1 1 58 58 LEU C C 477 173.922 173.922 174.135 -0.213 17518
7129 1 13 . 1 1 58 58 LEU CA C 477 53.508 53.508 53.235 0.273 17518
7130 1 13 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.143 1.137 17518
7131 1 13 . 1 1 58 58 LEU H H 477 9.149 9.149 9.321 -0.172 17518
7132 1 13 . 1 1 59 59 GLU N N 478 126.375 126.375 124.652 1.723 17518
7133 1 13 . 1 1 59 59 GLU HA H 478 5.356 5.356 4.972 0.384 17518
7134 1 13 . 1 1 59 59 GLU C C 478 175.481 175.481 175.170 0.311 17518
7135 1 13 . 1 1 59 59 GLU CA C 478 54.597 54.597 55.285 -0.688 17518
7136 1 13 . 1 1 59 59 GLU CB C 478 32.759 32.759 33.050 -0.291 17518
7137 1 13 . 1 1 59 59 GLU H H 478 8.558 8.558 8.821 -0.263 17518
7138 1 13 . 1 1 60 60 ALA N N 479 124.321 124.321 125.921 -1.600 17518
7139 1 13 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.676 0.116 17518
7140 1 13 . 1 1 60 60 ALA C C 479 174.955 174.955 175.137 -0.182 17518
7141 1 13 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.754 0.387 17518
7142 1 13 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.853 1.241 17518
7143 1 13 . 1 1 60 60 ALA H H 479 9.614 9.614 8.827 0.787 17518
7144 1 13 . 1 1 61 61 ALA N N 480 120.954 120.954 121.412 -0.458 17518
7145 1 13 . 1 1 61 61 ALA HA H 480 4.794 4.794 4.928 -0.134 17518
7146 1 13 . 1 1 61 61 ALA C C 480 174.782 174.782 174.934 -0.152 17518
7147 1 13 . 1 1 61 61 ALA CA C 480 51.257 51.257 51.400 -0.143 17518
7148 1 13 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.632 0.582 17518
7149 1 13 . 1 1 61 61 ALA H H 480 9.346 9.346 8.494 0.852 17518
7150 1 13 . 1 1 62 62 PHE N N 481 117.021 117.021 121.830 -4.809 17518
7151 1 13 . 1 1 62 62 PHE HA H 481 5.884 5.884 5.110 0.774 17518
7152 1 13 . 1 1 62 62 PHE C C 481 175.044 175.044 173.305 1.739 17518
7153 1 13 . 1 1 62 62 PHE CA C 481 56.588 56.588 54.783 1.805 17518
7154 1 13 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.674 0.589 17518
7155 1 13 . 1 1 62 62 PHE H H 481 8.351 8.351 8.812 -0.461 17518
7156 1 13 . 1 1 63 63 ASN N N 482 116.362 116.362 122.295 -5.933 17518
7157 1 13 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.404 0.704 17518
7158 1 13 . 1 1 63 63 ASN C C 482 172.088 172.088 173.520 -1.432 17518
7159 1 13 . 1 1 63 63 ASN CA C 482 53.710 53.710 51.776 1.934 17518
7160 1 13 . 1 1 63 63 ASN CB C 482 41.348 41.348 40.899 0.449 17518
7161 1 13 . 1 1 63 63 ASN H H 482 9.077 9.077 8.678 0.399 17518
7162 1 13 . 1 1 64 64 ASP N N 483 118.002 118.002 120.328 -2.326 17518
7163 1 13 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.348 -0.164 17518
7164 1 13 . 1 1 64 64 ASP C C 483 177.271 177.271 176.943 0.328 17518
7165 1 13 . 1 1 64 64 ASP CA C 483 52.301 52.301 52.071 0.230 17518
7166 1 13 . 1 1 64 64 ASP CB C 483 40.887 40.887 38.831 2.056 17518
7167 1 13 . 1 1 64 64 ASP H H 483 7.482 7.482 7.957 -0.475 17518
7168 1 13 . 1 1 65 65 GLY N N 484 110.602 110.602 108.072 2.530 17518
7169 1 13 . 1 1 65 65 GLY C C 484 173.156 173.156 173.596 -0.440 17518
7170 1 13 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.822 -0.207 17518
7171 1 13 . 1 1 65 65 GLY H H 484 8.696 8.696 8.327 0.369 17518
7172 1 13 . 1 1 66 66 ASN N N 485 120.867 120.867 117.360 3.507 17518
7173 1 13 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.841 -0.137 17518
7174 1 13 . 1 1 66 66 ASN C C 485 174.442 174.442 174.889 -0.447 17518
7175 1 13 . 1 1 66 66 ASN CA C 485 52.311 52.311 53.985 -1.674 17518
7176 1 13 . 1 1 66 66 ASN CB C 485 39.491 39.491 40.400 -0.909 17518
7177 1 13 . 1 1 66 66 ASN H H 485 8.371 8.371 7.842 0.529 17518
7178 1 13 . 1 1 67 67 ASN N N 486 113.518 113.518 115.627 -2.109 17518
7179 1 13 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.868 -0.690 17518
7180 1 13 . 1 1 67 67 ASN C C 486 173.845 173.845 174.755 -0.910 17518
7181 1 13 . 1 1 67 67 ASN CA C 486 54.486 54.486 53.776 0.710 17518
7182 1 13 . 1 1 67 67 ASN CB C 486 38.267 38.267 40.835 -2.568 17518
7183 1 13 . 1 1 67 67 ASN H H 486 8.700 8.700 8.320 0.380 17518
7184 1 13 . 1 1 68 68 ASN N N 487 118.464 118.464 121.199 -2.735 17518
7185 1 13 . 1 1 68 68 ASN HA H 487 5.058 5.058 4.691 0.367 17518
7186 1 13 . 1 1 68 68 ASN C C 487 173.449 173.449 173.713 -0.264 17518
7187 1 13 . 1 1 68 68 ASN CA C 487 53.268 53.268 53.977 -0.709 17518
7188 1 13 . 1 1 68 68 ASN CB C 487 38.813 38.813 38.625 0.188 17518
7189 1 13 . 1 1 68 68 ASN H H 487 7.975 7.975 8.515 -0.540 17518
7190 1 13 . 1 1 69 69 TRP N N 488 120.817 120.817 125.020 -4.203 17518
7191 1 13 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.775 0.047 17518
7192 1 13 . 1 1 69 69 TRP C C 488 176.268 176.268 175.473 0.795 17518
7193 1 13 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.977 1.201 17518
7194 1 13 . 1 1 69 69 TRP CB C 488 32.331 32.331 30.138 2.193 17518
7195 1 13 . 1 1 69 69 TRP H H 488 8.771 8.771 8.428 0.343 17518
7196 1 13 . 1 1 70 70 ASP N N 489 122.179 122.179 125.488 -3.309 17518
7197 1 13 . 1 1 70 70 ASP HA H 489 5.196 5.196 4.858 0.338 17518
7198 1 13 . 1 1 70 70 ASP C C 489 175.441 175.441 175.420 0.021 17518
7199 1 13 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.485 -1.140 17518
7200 1 13 . 1 1 70 70 ASP CB C 489 41.968 41.968 42.406 -0.438 17518
7201 1 13 . 1 1 70 70 ASP H H 489 9.795 9.795 8.621 1.174 17518
7202 1 13 . 1 1 71 71 SER N N 490 117.314 117.314 119.438 -2.124 17518
7203 1 13 . 1 1 71 71 SER HA H 490 5.084 5.084 4.344 0.740 17518
7204 1 13 . 1 1 71 71 SER C C 490 175.277 175.277 173.441 1.836 17518
7205 1 13 . 1 1 71 71 SER CA C 490 56.099 56.099 56.134 -0.035 17518
7206 1 13 . 1 1 71 71 SER CB C 490 66.550 66.550 66.227 0.323 17518
7207 1 13 . 1 1 71 71 SER H H 490 9.238 9.238 7.900 1.338 17518
7208 1 13 . 1 1 72 72 ASN N N 491 122.911 122.911 121.315 1.596 17518
7209 1 13 . 1 1 72 72 ASN HA H 491 4.367 4.367 4.219 0.148 17518
7210 1 13 . 1 1 72 72 ASN C C 491 176.857 176.857 175.147 1.710 17518
7211 1 13 . 1 1 72 72 ASN CA C 491 53.192 53.192 53.458 -0.266 17518
7212 1 13 . 1 1 72 72 ASN CB C 491 35.574 35.574 37.038 -1.464 17518
7213 1 13 . 1 1 72 72 ASN H H 491 8.536 8.536 8.399 0.137 17518
7214 1 13 . 1 1 73 73 ASN N N 492 116.146 116.146 117.070 -0.924 17518
7215 1 13 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.386 -0.001 17518
7216 1 13 . 1 1 73 73 ASN C C 492 176.335 176.335 174.039 2.296 17518
7217 1 13 . 1 1 73 73 ASN CA C 492 54.488 54.488 54.969 -0.481 17518
7218 1 13 . 1 1 73 73 ASN CB C 492 37.331 37.331 37.831 -0.499 17518
7219 1 13 . 1 1 73 73 ASN H H 492 9.086 9.086 9.066 0.020 17518
7220 1 13 . 1 1 74 74 THR N N 493 110.420 110.420 110.640 -0.220 17518
7221 1 13 . 1 1 74 74 THR HA H 493 3.779 3.779 4.269 -0.490 17518
7222 1 13 . 1 1 74 74 THR C C 493 173.194 173.194 173.041 0.153 17518
7223 1 13 . 1 1 74 74 THR CA C 493 65.027 65.027 62.686 2.341 17518
7224 1 13 . 1 1 74 74 THR CB C 493 69.730 69.730 68.284 1.446 17518
7225 1 13 . 1 1 74 74 THR H H 493 7.782 7.782 7.877 -0.095 17518
7226 1 13 . 1 1 75 75 LYS N N 494 121.968 121.968 119.445 2.523 17518
7227 1 13 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.428 -0.361 17518
7228 1 13 . 1 1 75 75 LYS C C 494 177.470 177.470 174.923 2.547 17518
7229 1 13 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.278 1.731 17518
7230 1 13 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.267 -2.681 17518
7231 1 13 . 1 1 75 75 LYS H H 494 7.652 7.652 7.675 -0.023 17518
7232 1 13 . 1 1 76 76 ASN N N 495 108.525 108.525 113.898 -5.373 17518
7233 1 13 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.488 -0.558 17518
7234 1 13 . 1 1 76 76 ASN C C 495 172.085 172.085 173.399 -1.314 17518
7235 1 13 . 1 1 76 76 ASN CA C 495 54.413 54.413 53.008 1.405 17518
7236 1 13 . 1 1 76 76 ASN CB C 495 39.048 39.048 39.336 -0.288 17518
7237 1 13 . 1 1 76 76 ASN H H 495 8.197 8.197 7.653 0.544 17518
7238 1 13 . 1 1 77 77 TYR N N 496 118.076 118.076 119.719 -1.643 17518
7239 1 13 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.565 0.228 17518
7240 1 13 . 1 1 77 77 TYR C C 496 175.074 175.074 174.693 0.381 17518
7241 1 13 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.435 0.236 17518
7242 1 13 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.228 1.557 17518
7243 1 13 . 1 1 77 77 TYR H H 496 9.133 9.133 8.741 0.392 17518
7244 1 13 . 1 1 78 78 SER N N 497 116.400 116.400 115.571 0.829 17518
7245 1 13 . 1 1 78 78 SER HA H 497 5.345 5.345 4.623 0.722 17518
7246 1 13 . 1 1 78 78 SER C C 497 173.130 173.130 172.811 0.319 17518
7247 1 13 . 1 1 78 78 SER CA C 497 57.191 57.191 56.562 0.629 17518
7248 1 13 . 1 1 78 78 SER CB C 497 64.293 64.293 64.645 -0.352 17518
7249 1 13 . 1 1 78 78 SER H H 497 8.204 8.204 8.078 0.126 17518
7250 1 13 . 1 1 79 79 PHE N N 498 123.023 123.023 125.384 -2.361 17518
7251 1 13 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.855 -0.045 17518
7252 1 13 . 1 1 79 79 PHE C C 498 175.275 175.275 174.446 0.829 17518
7253 1 13 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.185 0.822 17518
7254 1 13 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.078 -0.089 17518
7255 1 13 . 1 1 79 79 PHE H H 498 9.054 9.054 9.146 -0.092 17518
7256 1 13 . 1 1 80 80 SER N N 499 117.002 117.002 117.258 -0.256 17518
7257 1 13 . 1 1 80 80 SER HA H 499 4.997 4.997 4.772 0.225 17518
7258 1 13 . 1 1 80 80 SER C C 499 173.356 173.356 175.319 -1.963 17518
7259 1 13 . 1 1 80 80 SER CA C 499 57.357 57.357 57.888 -0.531 17518
7260 1 13 . 1 1 80 80 SER CB C 499 65.301 65.301 64.106 1.195 17518
7261 1 13 . 1 1 80 80 SER H H 499 8.804 8.804 8.757 0.047 17518
7262 1 13 . 1 1 81 81 THR N N 500 112.529 112.529 113.040 -0.511 17518
7263 1 13 . 1 1 81 81 THR HA H 500 3.820 3.820 3.733 0.087 17518
7264 1 13 . 1 1 81 81 THR C C 500 174.378 174.378 175.146 -0.768 17518
7265 1 13 . 1 1 81 81 THR CA C 500 64.220 64.220 63.242 0.978 17518
7266 1 13 . 1 1 81 81 THR CB C 500 69.475 69.475 68.891 0.584 17518
7267 1 13 . 1 1 81 81 THR H H 500 7.559 7.559 8.203 -0.644 17518
7268 1 13 . 1 1 82 82 GLY N N 501 112.234 112.234 113.260 -1.026 17518
7269 1 13 . 1 1 82 82 GLY C C 501 174.342 174.342 172.042 2.300 17518
7270 1 13 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.677 -0.882 17518
7271 1 13 . 1 1 82 82 GLY H H 501 8.409 8.409 8.396 0.013 17518
7272 1 13 . 1 1 83 83 THR N N 502 120.411 120.411 116.647 3.764 17518
7273 1 13 . 1 1 83 83 THR HA H 502 5.487 5.487 5.330 0.157 17518
7274 1 13 . 1 1 83 83 THR C C 502 174.798 174.798 173.377 1.421 17518
7275 1 13 . 1 1 83 83 THR CA C 502 62.497 62.497 60.643 1.854 17518
7276 1 13 . 1 1 83 83 THR CB C 502 69.978 69.978 71.411 -1.433 17518
7277 1 13 . 1 1 83 83 THR H H 502 8.729 8.729 8.065 0.664 17518
7278 1 13 . 1 1 84 84 SER N N 503 123.023 123.023 121.133 1.890 17518
7279 1 13 . 1 1 84 84 SER HA H 503 5.409 5.409 5.020 0.389 17518
7280 1 13 . 1 1 84 84 SER C C 503 171.976 171.976 173.117 -1.141 17518
7281 1 13 . 1 1 84 84 SER CA C 503 58.675 58.675 56.368 2.307 17518
7282 1 13 . 1 1 84 84 SER CB C 503 67.607 67.607 66.017 1.590 17518
7283 1 13 . 1 1 84 84 SER H H 503 9.121 9.121 9.086 0.035 17518
7284 1 13 . 1 1 85 85 THR N N 504 118.388 118.388 118.907 -0.519 17518
7285 1 13 . 1 1 85 85 THR HA H 504 5.241 5.241 5.061 0.180 17518
7286 1 13 . 1 1 85 85 THR C C 504 172.930 172.930 172.790 0.140 17518
7287 1 13 . 1 1 85 85 THR CA C 504 62.672 62.672 62.194 0.478 17518
7288 1 13 . 1 1 85 85 THR CB C 504 70.641 70.641 71.156 -0.515 17518
7289 1 13 . 1 1 85 85 THR H H 504 9.445 9.445 8.686 0.759 17518
7290 1 13 . 1 1 86 86 TYR N N 505 129.195 129.195 128.661 0.534 17518
7291 1 13 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.420 -0.311 17518
7292 1 13 . 1 1 86 86 TYR C C 505 173.063 173.063 173.711 -0.648 17518
7293 1 13 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.898 1.382 17518
7294 1 13 . 1 1 86 86 TYR CB C 505 41.660 41.660 41.914 -0.254 17518
7295 1 13 . 1 1 86 86 TYR H H 505 9.858 9.858 9.639 0.219 17518
7296 1 13 . 1 1 87 87 THR N N 506 124.861 124.861 123.117 1.744 17518
7297 1 13 . 1 1 87 87 THR HA H 506 4.288 4.288 4.779 -0.491 17518
7298 1 13 . 1 1 87 87 THR C C 506 171.472 171.472 171.693 -0.221 17518
7299 1 13 . 1 1 87 87 THR CA C 506 58.917 58.917 58.600 0.317 17518
7300 1 13 . 1 1 87 87 THR CB C 506 70.055 70.055 71.316 -1.261 17518
7301 1 13 . 1 1 87 87 THR H H 506 7.906 7.906 8.792 -0.886 17518
7302 1 13 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.471 -0.465 17518
7303 1 13 . 1 1 88 88 PRO C C 507 176.975 176.975 176.796 0.179 17518
7304 1 13 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.782 0.216 17518
7305 1 13 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.318 0.056 17518
7306 1 13 . 1 1 89 89 GLY N N 508 108.823 108.823 110.511 -1.688 17518
7307 1 13 . 1 1 89 89 GLY C C 508 173.757 173.757 173.152 0.605 17518
7308 1 13 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.550 -0.472 17518
7309 1 13 . 1 1 89 89 GLY H H 508 8.294 8.294 8.646 -0.352 17518
7310 1 13 . 1 1 90 90 ASN N N 509 117.850 117.850 117.367 0.483 17518
7311 1 13 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.686 0.037 17518
7312 1 13 . 1 1 90 90 ASN C C 509 176.078 176.078 175.380 0.698 17518
7313 1 13 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.662 -0.756 17518
7314 1 13 . 1 1 90 90 ASN CB C 509 39.922 39.922 38.476 1.446 17518
7315 1 13 . 1 1 90 90 ASN H H 509 8.434 8.434 7.914 0.520 17518
7316 1 13 . 1 1 91 91 SER N N 510 114.973 114.973 120.061 -5.088 17518
7317 1 13 . 1 1 91 91 SER HA H 510 4.133 4.133 4.112 0.021 17518
7318 1 13 . 1 1 91 91 SER C C 510 174.773 174.773 175.743 -0.970 17518
7319 1 13 . 1 1 91 91 SER CA C 510 58.662 58.662 60.791 -2.129 17518
7320 1 13 . 1 1 91 91 SER CB C 510 62.209 62.209 62.243 -0.034 17518
7321 1 13 . 1 1 91 91 SER H H 510 8.819 8.819 8.756 0.063 17518
7322 1 13 . 1 1 92 92 GLY N N 511 108.552 108.552 111.733 -3.181 17518
7323 1 13 . 1 1 92 92 GLY C C 511 174.613 174.613 174.299 0.314 17518
7324 1 13 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.826 -0.563 17518
7325 1 13 . 1 1 92 92 GLY H H 511 8.472 8.472 8.586 -0.114 17518
7326 1 13 . 1 1 93 93 ASN N N 512 119.035 119.035 119.860 -0.825 17518
7327 1 13 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.838 -0.068 17518
7328 1 13 . 1 1 93 93 ASN C C 512 174.627 174.627 173.926 0.701 17518
7329 1 13 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.553 0.280 17518
7330 1 13 . 1 1 93 93 ASN CB C 512 39.771 39.771 40.348 -0.577 17518
7331 1 13 . 1 1 93 93 ASN H H 512 7.985 7.985 7.501 0.484 17518
7332 1 13 . 1 1 94 94 ALA N N 513 123.854 123.854 122.855 0.999 17518
7333 1 13 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.558 0.046 17518
7334 1 13 . 1 1 94 94 ALA C C 513 178.511 178.511 177.010 1.501 17518
7335 1 13 . 1 1 94 94 ALA CA C 513 52.699 52.699 51.991 0.708 17518
7336 1 13 . 1 1 94 94 ALA CB C 513 20.408 20.408 19.999 0.409 17518
7337 1 13 . 1 1 94 94 ALA H H 513 8.442 8.442 8.317 0.125 17518
7338 1 13 . 1 1 95 95 GLY N N 514 108.880 108.880 111.977 -3.097 17518
7339 1 13 . 1 1 95 95 GLY C C 514 173.104 173.104 174.620 -1.516 17518
7340 1 13 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.601 -0.706 17518
7341 1 13 . 1 1 95 95 GLY H H 514 8.353 8.353 8.372 -0.019 17518
7342 1 13 . 1 1 96 96 THR N N 515 110.444 110.444 116.818 -6.374 17518
7343 1 13 . 1 1 96 96 THR HA H 515 4.504 4.504 4.626 -0.122 17518
7344 1 13 . 1 1 96 96 THR C C 515 173.214 173.214 173.862 -0.648 17518
7345 1 13 . 1 1 96 96 THR CA C 515 60.947 60.947 60.949 -0.002 17518
7346 1 13 . 1 1 96 96 THR CB C 515 72.111 72.111 70.325 1.786 17518
7347 1 13 . 1 1 96 96 THR H H 515 7.839 7.839 8.524 -0.685 17518
7348 1 13 . 1 1 97 97 ILE N N 516 126.770 126.770 125.401 1.369 17518
7349 1 13 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.351 -0.380 17518
7350 1 13 . 1 1 97 97 ILE C C 516 176.061 176.061 175.860 0.201 17518
7351 1 13 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.696 1.349 17518
7352 1 13 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.844 -1.102 17518
7353 1 13 . 1 1 97 97 ILE H H 516 8.733 8.733 8.570 0.163 17518
7354 1 13 . 1 1 98 98 THR N N 517 121.307 121.307 119.975 1.332 17518
7355 1 13 . 1 1 98 98 THR HA H 517 4.693 4.693 4.665 0.028 17518
7356 1 13 . 1 1 98 98 THR C C 517 173.622 173.622 173.610 0.012 17518
7357 1 13 . 1 1 98 98 THR CA C 517 59.692 59.692 59.728 -0.036 17518
7358 1 13 . 1 1 98 98 THR CB C 517 71.290 71.290 70.981 0.310 17518
7359 1 13 . 1 1 98 98 THR H H 517 9.270 9.270 9.085 0.185 17518
7360 1 13 . 1 1 99 99 SER N N 518 118.544 118.544 119.003 -0.459 17518
7361 1 13 . 1 1 99 99 SER HA H 518 4.548 4.548 4.605 -0.057 17518
7362 1 13 . 1 1 99 99 SER C C 518 175.405 175.405 174.100 1.305 17518
7363 1 13 . 1 1 99 99 SER CA C 518 59.662 59.662 58.429 1.233 17518
7364 1 13 . 1 1 99 99 SER CB C 518 63.836 63.836 62.174 1.662 17518
7365 1 13 . 1 1 99 99 SER H H 518 8.667 8.667 8.520 0.147 17518
7366 1 13 . 1 1 100 100 GLY N N 519 113.982 113.982 111.318 2.664 17518
7367 1 13 . 1 1 100 100 GLY C C 519 171.714 171.714 172.608 -0.894 17518
7368 1 13 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.421 -0.348 17518
7369 1 13 . 1 1 100 100 GLY H H 519 8.443 8.443 7.434 1.009 17518
7370 1 13 . 1 1 101 101 ALA N N 520 120.741 120.741 125.664 -4.923 17518
7371 1 13 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.585 -0.978 17518
7372 1 13 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.935 -1.472 17518
7373 1 13 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.392 -1.261 17518
7374 1 13 . 1 1 101 101 ALA H H 520 7.908 7.908 8.198 -0.290 17518
7375 1 13 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.363 -0.321 17518
7376 1 13 . 1 1 102 102 PRO C C 521 175.467 175.467 176.364 -0.897 17518
7377 1 13 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.746 -0.048 17518
7378 1 13 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.268 -0.404 17518
7379 1 13 . 1 1 103 103 ALA N N 522 122.930 122.930 125.724 -2.794 17518
7380 1 13 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.447 -0.334 17518
7381 1 13 . 1 1 103 103 ALA C C 522 177.009 177.009 177.147 -0.138 17518
7382 1 13 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.820 0.136 17518
7383 1 13 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.169 1.520 17518
7384 1 13 . 1 1 103 103 ALA H H 522 7.993 7.993 8.470 -0.477 17518
7385 1 14 . 1 1 2 2 GLY C C 421 174.167 174.167 172.851 1.316 17518
7386 1 14 . 1 1 2 2 GLY CA C 421 45.259 45.259 45.198 0.061 17518
7387 1 14 . 1 1 3 3 THR N N 422 113.380 113.380 115.859 -2.479 17518
7388 1 14 . 1 1 3 3 THR HA H 422 4.348 4.348 4.565 -0.217 17518
7389 1 14 . 1 1 3 3 THR C C 422 174.773 174.773 173.917 0.856 17518
7390 1 14 . 1 1 3 3 THR CA C 422 61.357 61.357 61.435 -0.078 17518
7391 1 14 . 1 1 3 3 THR CB C 422 69.791 69.791 70.270 -0.479 17518
7392 1 14 . 1 1 3 3 THR H H 422 8.099 8.099 7.807 0.292 17518
7393 1 14 . 1 1 4 4 GLY N N 423 113.124 113.124 114.495 -1.371 17518
7394 1 14 . 1 1 4 4 GLY C C 423 173.909 173.909 172.964 0.945 17518
7395 1 14 . 1 1 4 4 GLY CA C 423 45.058 45.058 45.711 -0.653 17518
7396 1 14 . 1 1 4 4 GLY H H 423 8.770 8.770 8.298 0.472 17518
7397 1 14 . 1 1 5 5 ASN N N 424 121.226 121.226 117.756 3.470 17518
7398 1 14 . 1 1 5 5 ASN HA H 424 4.574 4.574 5.045 -0.471 17518
7399 1 14 . 1 1 5 5 ASN C C 424 174.450 174.450 173.552 0.898 17518
7400 1 14 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.578 0.659 17518
7401 1 14 . 1 1 5 5 ASN CB C 424 38.520 38.520 41.765 -3.245 17518
7402 1 14 . 1 1 5 5 ASN H H 424 8.988 8.988 8.179 0.809 17518
7403 1 14 . 1 1 6 6 LYS N N 425 119.587 119.587 120.097 -0.510 17518
7404 1 14 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.604 0.525 17518
7405 1 14 . 1 1 6 6 LYS C C 425 176.281 176.281 174.796 1.485 17518
7406 1 14 . 1 1 6 6 LYS CA C 425 54.394 54.394 54.945 -0.551 17518
7407 1 14 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.742 -0.294 17518
7408 1 14 . 1 1 6 6 LYS H H 425 8.354 8.354 8.412 -0.058 17518
7409 1 14 . 1 1 7 7 VAL N N 426 124.203 124.203 122.206 1.997 17518
7410 1 14 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.937 -0.475 17518
7411 1 14 . 1 1 7 7 VAL C C 426 174.564 174.564 174.627 -0.063 17518
7412 1 14 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.610 0.759 17518
7413 1 14 . 1 1 7 7 VAL CB C 426 34.432 34.432 35.482 -1.050 17518
7414 1 14 . 1 1 7 7 VAL H H 426 8.774 8.774 8.849 -0.075 17518
7415 1 14 . 1 1 8 8 THR N N 427 125.363 125.363 123.484 1.879 17518
7416 1 14 . 1 1 8 8 THR HA H 427 5.326 5.326 5.243 0.083 17518
7417 1 14 . 1 1 8 8 THR C C 427 173.108 173.108 173.166 -0.058 17518
7418 1 14 . 1 1 8 8 THR CA C 427 61.752 61.752 61.566 0.186 17518
7419 1 14 . 1 1 8 8 THR CB C 427 69.860 69.860 70.744 -0.884 17518
7420 1 14 . 1 1 8 8 THR H H 427 8.851 8.851 9.023 -0.172 17518
7421 1 14 . 1 1 9 9 ILE N N 428 127.015 127.015 126.371 0.644 17518
7422 1 14 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.946 -0.290 17518
7423 1 14 . 1 1 9 9 ILE C C 428 175.404 175.404 174.137 1.267 17518
7424 1 14 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.308 -0.428 17518
7425 1 14 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.874 1.317 17518
7426 1 14 . 1 1 9 9 ILE H H 428 8.628 8.628 9.127 -0.499 17518
7427 1 14 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.404 -0.235 17518
7428 1 14 . 1 1 10 10 TYR C C 429 174.161 174.161 174.951 -0.790 17518
7429 1 14 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.244 3.007 17518
7430 1 14 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.121 1.262 17518
7431 1 14 . 1 1 10 10 TYR H H 429 9.069 9.069 9.229 -0.160 17518
7432 1 14 . 1 1 11 11 TYR N N 430 125.905 125.905 126.025 -0.120 17518
7433 1 14 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.639 -0.649 17518
7434 1 14 . 1 1 11 11 TYR C C 430 173.359 173.359 174.182 -0.823 17518
7435 1 14 . 1 1 11 11 TYR CA C 430 56.630 56.630 55.143 1.487 17518
7436 1 14 . 1 1 11 11 TYR CB C 430 42.942 42.942 41.989 0.953 17518
7437 1 14 . 1 1 11 11 TYR H H 430 9.500 9.500 8.920 0.580 17518
7438 1 14 . 1 1 12 12 LYS N N 431 131.688 131.688 126.413 5.275 17518
7439 1 14 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.536 0.826 17518
7440 1 14 . 1 1 12 12 LYS C C 431 172.929 172.929 174.612 -1.683 17518
7441 1 14 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.186 0.681 17518
7442 1 14 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.245 0.926 17518
7443 1 14 . 1 1 12 12 LYS H H 431 8.410 8.410 7.745 0.665 17518
7444 1 14 . 1 1 13 13 LYS N N 432 125.124 125.124 125.125 -0.001 17518
7445 1 14 . 1 1 13 13 LYS HA H 432 3.872 3.872 4.028 -0.156 17518
7446 1 14 . 1 1 13 13 LYS C C 432 180.107 180.107 176.278 3.829 17518
7447 1 14 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.628 -4.120 17518
7448 1 14 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.394 -0.740 17518
7449 1 14 . 1 1 14 14 GLY N N 433 112.761 112.761 112.695 0.066 17518
7450 1 14 . 1 1 14 14 GLY C C 433 174.180 174.180 174.499 -0.319 17518
7451 1 14 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.320 1.022 17518
7452 1 14 . 1 1 14 14 GLY H H 433 7.585 7.585 8.699 -1.114 17518
7453 1 14 . 1 1 15 15 PHE N N 434 121.529 121.529 119.474 2.055 17518
7454 1 14 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.596 0.095 17518
7455 1 14 . 1 1 15 15 PHE C C 434 175.899 175.899 175.081 0.818 17518
7456 1 14 . 1 1 15 15 PHE CA C 434 57.157 57.157 58.983 -1.826 17518
7457 1 14 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.538 -2.066 17518
7458 1 14 . 1 1 15 15 PHE H H 434 8.454 8.454 8.076 0.378 17518
7459 1 14 . 1 1 16 16 ASN N N 435 117.583 117.583 114.279 3.304 17518
7460 1 14 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.623 -0.224 17518
7461 1 14 . 1 1 16 16 ASN C C 435 176.259 176.259 174.764 1.495 17518
7462 1 14 . 1 1 16 16 ASN CA C 435 56.521 56.521 53.796 2.725 17518
7463 1 14 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.464 0.902 17518
7464 1 14 . 1 1 16 16 ASN H H 435 8.513 8.513 8.564 -0.051 17518
7465 1 14 . 1 1 17 17 SER N N 436 112.889 112.889 117.606 -4.717 17518
7466 1 14 . 1 1 17 17 SER HA H 436 4.798 4.798 4.998 -0.200 17518
7467 1 14 . 1 1 17 17 SER C C 436 171.151 171.151 171.876 -0.725 17518
7468 1 14 . 1 1 17 17 SER CA C 436 53.721 53.721 55.407 -1.686 17518
7469 1 14 . 1 1 17 17 SER CB C 436 63.834 63.834 63.960 -0.126 17518
7470 1 14 . 1 1 17 17 SER H H 436 8.315 8.315 8.363 -0.048 17518
7471 1 14 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.051 0.511 17518
7472 1 14 . 1 1 18 18 PRO C C 437 175.812 175.812 175.609 0.203 17518
7473 1 14 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.248 0.369 17518
7474 1 14 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.370 0.404 17518
7475 1 14 . 1 1 19 19 TYR N N 438 122.060 122.060 118.408 3.652 17518
7476 1 14 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.749 0.081 17518
7477 1 14 . 1 1 19 19 TYR C C 438 174.732 174.732 174.604 0.128 17518
7478 1 14 . 1 1 19 19 TYR CA C 438 56.729 56.729 55.001 1.728 17518
7479 1 14 . 1 1 19 19 TYR CB C 438 40.758 40.758 40.689 0.069 17518
7480 1 14 . 1 1 19 19 TYR H H 438 9.072 9.072 8.472 0.600 17518
7481 1 14 . 1 1 20 20 ILE N N 439 118.018 118.018 120.150 -2.132 17518
7482 1 14 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.905 0.083 17518
7483 1 14 . 1 1 20 20 ILE C C 439 171.341 171.341 174.604 -3.263 17518
7484 1 14 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.544 -0.971 17518
7485 1 14 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.096 0.562 17518
7486 1 14 . 1 1 20 20 ILE H H 439 9.164 9.164 9.072 0.092 17518
7487 1 14 . 1 1 21 21 HIS N N 440 133.346 133.346 129.862 3.484 17518
7488 1 14 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.838 0.537 17518
7489 1 14 . 1 1 21 21 HIS C C 440 174.947 174.947 173.718 1.229 17518
7490 1 14 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.096 -0.295 17518
7491 1 14 . 1 1 21 21 HIS CB C 440 35.001 35.001 31.477 3.524 17518
7492 1 14 . 1 1 21 21 HIS H H 440 8.843 8.843 8.471 0.372 17518
7493 1 14 . 1 1 22 22 TYR N N 441 121.863 121.863 123.268 -1.405 17518
7494 1 14 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.918 0.139 17518
7495 1 14 . 1 1 22 22 TYR C C 441 173.567 173.567 173.527 0.040 17518
7496 1 14 . 1 1 22 22 TYR CA C 441 56.693 56.693 54.991 1.702 17518
7497 1 14 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.941 0.855 17518
7498 1 14 . 1 1 22 22 TYR H H 441 8.231 8.231 7.922 0.309 17518
7499 1 14 . 1 1 23 23 ARG N N 442 116.788 116.788 121.045 -4.257 17518
7500 1 14 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.802 -0.171 17518
7501 1 14 . 1 1 23 23 ARG CA C 442 52.360 52.360 53.041 -0.681 17518
7502 1 14 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.519 -1.205 17518
7503 1 14 . 1 1 23 23 ARG H H 442 8.456 8.456 9.171 -0.715 17518
7504 1 14 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.540 -0.033 17518
7505 1 14 . 1 1 24 24 PRO C C 443 176.258 176.258 175.931 0.327 17518
7506 1 14 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.995 0.249 17518
7507 1 14 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.351 -0.154 17518
7508 1 14 . 1 1 25 25 ALA N N 444 125.666 125.666 125.661 0.005 17518
7509 1 14 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.960 -0.002 17518
7510 1 14 . 1 1 25 25 ALA C C 444 179.221 179.221 177.761 1.460 17518
7511 1 14 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.398 0.782 17518
7512 1 14 . 1 1 25 25 ALA CB C 444 18.420 18.420 18.218 0.202 17518
7513 1 14 . 1 1 25 25 ALA H H 444 8.230 8.230 8.197 0.033 17518
7514 1 14 . 1 1 26 26 GLY N N 445 112.217 112.217 109.977 2.240 17518
7515 1 14 . 1 1 26 26 GLY C C 445 174.734 174.734 174.426 0.308 17518
7516 1 14 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.662 1.000 17518
7517 1 14 . 1 1 26 26 GLY H H 445 8.591 8.591 7.956 0.635 17518
7518 1 14 . 1 1 27 27 GLY N N 446 109.489 109.489 109.421 0.068 17518
7519 1 14 . 1 1 27 27 GLY C C 446 173.379 173.379 173.027 0.352 17518
7520 1 14 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.318 -0.201 17518
7521 1 14 . 1 1 27 27 GLY H H 446 8.380 8.380 8.436 -0.056 17518
7522 1 14 . 1 1 28 28 SER N N 447 117.275 117.275 114.656 2.619 17518
7523 1 14 . 1 1 28 28 SER HA H 447 4.637 4.637 4.614 0.023 17518
7524 1 14 . 1 1 28 28 SER C C 447 173.759 173.759 173.397 0.362 17518
7525 1 14 . 1 1 28 28 SER CA C 447 57.410 57.410 57.445 -0.035 17518
7526 1 14 . 1 1 28 28 SER CB C 447 65.022 65.022 65.416 -0.394 17518
7527 1 14 . 1 1 28 28 SER H H 447 8.585 8.585 8.191 0.394 17518
7528 1 14 . 1 1 29 29 TRP N N 448 123.426 123.426 123.175 0.251 17518
7529 1 14 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.514 -0.121 17518
7530 1 14 . 1 1 29 29 TRP C C 448 178.997 178.997 177.305 1.692 17518
7531 1 14 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.849 0.317 17518
7532 1 14 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.033 0.573 17518
7533 1 14 . 1 1 29 29 TRP H H 448 8.346 8.346 8.512 -0.166 17518
7534 1 14 . 1 1 30 30 THR N N 449 111.168 111.168 114.983 -3.815 17518
7535 1 14 . 1 1 30 30 THR HA H 449 3.978 3.978 4.358 -0.380 17518
7536 1 14 . 1 1 30 30 THR C C 449 174.707 174.707 173.786 0.921 17518
7537 1 14 . 1 1 30 30 THR CA C 449 61.317 61.317 61.873 -0.556 17518
7538 1 14 . 1 1 30 30 THR CB C 449 70.526 70.526 69.782 0.744 17518
7539 1 14 . 1 1 30 30 THR H H 449 7.888 7.888 8.614 -0.726 17518
7540 1 14 . 1 1 31 31 ALA N N 450 122.982 122.982 123.975 -0.993 17518
7541 1 14 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.205 0.194 17518
7542 1 14 . 1 1 31 31 ALA C C 450 178.443 178.443 176.399 2.044 17518
7543 1 14 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.677 0.207 17518
7544 1 14 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.121 -0.060 17518
7545 1 14 . 1 1 31 31 ALA H H 450 8.383 8.383 8.338 0.045 17518
7546 1 14 . 1 1 32 32 ALA N N 451 129.780 129.780 127.182 2.598 17518
7547 1 14 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.115 -0.257 17518
7548 1 14 . 1 1 32 32 ALA C C 451 175.997 175.997 175.855 0.142 17518
7549 1 14 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.603 1.208 17518
7550 1 14 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.637 -2.392 17518
7551 1 14 . 1 1 32 32 ALA H H 451 8.778 8.778 7.896 0.882 17518
7552 1 14 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.484 -0.640 17518
7553 1 14 . 1 1 33 33 PRO C C 452 173.297 173.297 176.775 -3.478 17518
7554 1 14 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.409 1.323 17518
7555 1 14 . 1 1 33 33 PRO CB C 452 33.646 33.646 32.226 1.420 17518
7556 1 14 . 1 1 34 34 GLY N N 453 112.150 112.150 112.416 -0.266 17518
7557 1 14 . 1 1 34 34 GLY C C 453 174.011 174.011 173.294 0.717 17518
7558 1 14 . 1 1 34 34 GLY CA C 453 43.995 43.995 45.335 -1.340 17518
7559 1 14 . 1 1 34 34 GLY H H 453 8.685 8.685 7.381 1.304 17518
7560 1 14 . 1 1 35 35 VAL N N 454 123.276 123.276 119.568 3.708 17518
7561 1 14 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.237 0.109 17518
7562 1 14 . 1 1 35 35 VAL C C 454 174.782 174.782 175.286 -0.504 17518
7563 1 14 . 1 1 35 35 VAL CA C 454 60.959 60.959 59.843 1.116 17518
7564 1 14 . 1 1 35 35 VAL CB C 454 34.857 34.857 35.496 -0.639 17518
7565 1 14 . 1 1 35 35 VAL H H 454 9.287 9.287 8.340 0.947 17518
7566 1 14 . 1 1 36 36 LYS N N 455 128.135 128.135 128.100 0.035 17518
7567 1 14 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.490 -1.429 17518
7568 1 14 . 1 1 36 36 LYS C C 455 176.438 176.438 176.093 0.345 17518
7569 1 14 . 1 1 36 36 LYS CA C 455 57.223 57.223 57.465 -0.242 17518
7570 1 14 . 1 1 36 36 LYS CB C 455 32.619 32.619 32.752 -0.133 17518
7571 1 14 . 1 1 36 36 LYS H H 455 8.443 8.443 8.315 0.129 17518
7572 1 14 . 1 1 37 37 MET N N 456 124.850 124.850 126.670 -1.820 17518
7573 1 14 . 1 1 37 37 MET HA H 456 4.207 4.207 4.419 -0.212 17518
7574 1 14 . 1 1 37 37 MET C C 456 175.590 175.590 176.514 -0.924 17518
7575 1 14 . 1 1 37 37 MET CA C 456 56.409 56.409 56.717 -0.308 17518
7576 1 14 . 1 1 37 37 MET CB C 456 34.978 34.978 32.675 2.303 17518
7577 1 14 . 1 1 37 37 MET H H 456 8.121 8.121 8.576 -0.455 17518
7578 1 14 . 1 1 38 38 GLN N N 457 121.555 121.555 121.665 -0.110 17518
7579 1 14 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.158 0.235 17518
7580 1 14 . 1 1 38 38 GLN C C 457 175.737 175.737 175.966 -0.229 17518
7581 1 14 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.980 -2.197 17518
7582 1 14 . 1 1 38 38 GLN CB C 457 30.307 30.307 28.970 1.337 17518
7583 1 14 . 1 1 38 38 GLN H H 457 8.441 8.441 8.858 -0.417 17518
7584 1 14 . 1 1 39 39 ASP N N 458 121.629 121.629 118.669 2.960 17518
7585 1 14 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.733 -0.002 17518
7586 1 14 . 1 1 39 39 ASP C C 458 176.733 176.733 175.110 1.623 17518
7587 1 14 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.183 2.074 17518
7588 1 14 . 1 1 39 39 ASP CB C 458 40.358 40.358 41.072 -0.714 17518
7589 1 14 . 1 1 39 39 ASP H H 458 8.720 8.720 8.440 0.280 17518
7590 1 14 . 1 1 40 40 ALA N N 459 122.646 122.646 125.213 -2.567 17518
7591 1 14 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.663 -0.371 17518
7592 1 14 . 1 1 40 40 ALA C C 459 175.201 175.201 177.706 -2.505 17518
7593 1 14 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.358 0.199 17518
7594 1 14 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.833 2.115 17518
7595 1 14 . 1 1 40 40 ALA H H 459 8.423 8.423 8.890 -0.467 17518
7596 1 14 . 1 1 41 41 GLU N N 460 120.190 120.190 126.151 -5.961 17518
7597 1 14 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.946 0.361 17518
7598 1 14 . 1 1 41 41 GLU C C 460 174.722 174.722 177.745 -3.023 17518
7599 1 14 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.285 -0.766 17518
7600 1 14 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.182 -1.846 17518
7601 1 14 . 1 1 41 41 GLU H H 460 10.341 10.341 8.875 1.466 17518
7602 1 14 . 1 1 42 42 ILE N N 461 119.473 119.473 118.743 0.730 17518
7603 1 14 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.650 0.661 17518
7604 1 14 . 1 1 42 42 ILE C C 461 174.959 174.959 176.355 -1.396 17518
7605 1 14 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.439 -4.473 17518
7606 1 14 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.061 2.684 17518
7607 1 14 . 1 1 42 42 ILE H H 461 6.466 6.466 7.766 -1.300 17518
7608 1 14 . 1 1 43 43 SER N N 462 121.292 121.292 111.159 10.133 17518
7609 1 14 . 1 1 43 43 SER HA H 462 4.297 4.297 4.486 -0.189 17518
7610 1 14 . 1 1 43 43 SER C C 462 175.624 175.624 173.950 1.674 17518
7611 1 14 . 1 1 43 43 SER CA C 462 60.112 60.112 58.642 1.470 17518
7612 1 14 . 1 1 43 43 SER CB C 462 63.116 63.116 63.160 -0.043 17518
7613 1 14 . 1 1 43 43 SER H H 462 8.584 8.584 7.583 1.001 17518
7614 1 14 . 1 1 44 44 GLY N N 463 111.896 111.896 107.925 3.971 17518
7615 1 14 . 1 1 44 44 GLY C C 463 173.823 173.823 172.766 1.057 17518
7616 1 14 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.470 -0.591 17518
7617 1 14 . 1 1 44 44 GLY H H 463 8.623 8.623 7.984 0.639 17518
7618 1 14 . 1 1 45 45 TYR N N 464 116.379 116.379 119.560 -3.181 17518
7619 1 14 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.794 0.904 17518
7620 1 14 . 1 1 45 45 TYR C C 464 175.693 175.693 173.276 2.417 17518
7621 1 14 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.619 -0.007 17518
7622 1 14 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.604 -0.680 17518
7623 1 14 . 1 1 45 45 TYR H H 464 7.803 7.803 8.134 -0.331 17518
7624 1 14 . 1 1 46 46 ALA N N 465 126.206 126.206 120.376 5.830 17518
7625 1 14 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.369 -0.032 17518
7626 1 14 . 1 1 46 46 ALA C C 465 176.129 176.129 175.968 0.161 17518
7627 1 14 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.776 0.680 17518
7628 1 14 . 1 1 46 46 ALA CB C 465 24.346 24.346 21.968 2.378 17518
7629 1 14 . 1 1 46 46 ALA H H 465 9.910 9.910 9.293 0.617 17518
7630 1 14 . 1 1 47 47 LYS N N 466 120.226 120.226 120.375 -0.149 17518
7631 1 14 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.286 0.386 17518
7632 1 14 . 1 1 47 47 LYS C C 466 173.880 173.880 174.708 -0.828 17518
7633 1 14 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.285 0.121 17518
7634 1 14 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.916 0.244 17518
7635 1 14 . 1 1 47 47 LYS H H 466 9.373 9.373 8.351 1.022 17518
7636 1 14 . 1 1 48 48 ILE N N 467 120.505 120.505 122.087 -1.582 17518
7637 1 14 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.518 -0.115 17518
7638 1 14 . 1 1 48 48 ILE C C 467 171.247 171.247 173.271 -2.024 17518
7639 1 14 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.603 -0.222 17518
7640 1 14 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.238 0.296 17518
7641 1 14 . 1 1 48 48 ILE H H 467 8.085 8.085 8.851 -0.766 17518
7642 1 14 . 1 1 49 49 THR N N 468 122.247 122.247 124.613 -2.366 17518
7643 1 14 . 1 1 49 49 THR HA H 468 5.301 5.301 5.465 -0.164 17518
7644 1 14 . 1 1 49 49 THR C C 468 173.694 173.694 173.633 0.061 17518
7645 1 14 . 1 1 49 49 THR CA C 468 61.871 61.871 61.052 0.819 17518
7646 1 14 . 1 1 49 49 THR CB C 468 70.649 70.649 70.829 -0.180 17518
7647 1 14 . 1 1 49 49 THR H H 468 7.954 7.954 8.344 -0.390 17518
7648 1 14 . 1 1 50 50 VAL N N 469 126.076 126.076 124.702 1.374 17518
7649 1 14 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.068 0.043 17518
7650 1 14 . 1 1 50 50 VAL C C 469 173.826 173.826 173.995 -0.169 17518
7651 1 14 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.607 -0.408 17518
7652 1 14 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.725 -0.676 17518
7653 1 14 . 1 1 50 50 VAL H H 469 9.242 9.242 8.875 0.367 17518
7654 1 14 . 1 1 51 51 ASP N N 470 126.346 126.346 124.800 1.546 17518
7655 1 14 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.769 0.144 17518
7656 1 14 . 1 1 51 51 ASP C C 470 177.013 177.013 176.301 0.712 17518
7657 1 14 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.198 -1.184 17518
7658 1 14 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.094 -0.175 17518
7659 1 14 . 1 1 51 51 ASP H H 470 8.476 8.476 8.479 -0.003 17518
7660 1 14 . 1 1 52 52 ILE N N 471 118.935 118.935 116.212 2.723 17518
7661 1 14 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.559 -0.021 17518
7662 1 14 . 1 1 52 52 ILE C C 471 176.991 176.991 176.590 0.401 17518
7663 1 14 . 1 1 52 52 ILE CA C 471 59.992 59.992 60.052 -0.060 17518
7664 1 14 . 1 1 52 52 ILE CB C 471 38.002 38.002 39.948 -1.946 17518
7665 1 14 . 1 1 52 52 ILE H H 471 8.728 8.728 8.471 0.257 17518
7666 1 14 . 1 1 53 53 GLY N N 472 114.498 114.498 112.467 2.031 17518
7667 1 14 . 1 1 53 53 GLY C C 472 174.971 174.971 174.767 0.204 17518
7668 1 14 . 1 1 53 53 GLY CA C 472 47.668 47.668 47.008 0.660 17518
7669 1 14 . 1 1 53 53 GLY H H 472 9.078 9.078 8.006 1.072 17518
7670 1 14 . 1 1 54 54 SER N N 473 120.546 120.546 117.714 2.832 17518
7671 1 14 . 1 1 54 54 SER HA H 473 4.426 4.426 4.220 0.206 17518
7672 1 14 . 1 1 54 54 SER C C 473 174.975 174.975 172.947 2.028 17518
7673 1 14 . 1 1 54 54 SER CA C 473 58.417 58.417 59.558 -1.141 17518
7674 1 14 . 1 1 54 54 SER CB C 473 63.632 63.632 63.030 0.602 17518
7675 1 14 . 1 1 54 54 SER H H 473 8.808 8.808 8.360 0.448 17518
7676 1 14 . 1 1 55 55 ALA N N 474 125.402 125.402 122.835 2.567 17518
7677 1 14 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.815 -0.449 17518
7678 1 14 . 1 1 55 55 ALA C C 474 176.116 176.116 176.842 -0.726 17518
7679 1 14 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.008 1.365 17518
7680 1 14 . 1 1 55 55 ALA CB C 474 20.315 20.315 20.706 -0.391 17518
7681 1 14 . 1 1 55 55 ALA H H 474 7.738 7.738 7.836 -0.098 17518
7682 1 14 . 1 1 56 56 SER N N 475 110.149 110.149 116.795 -6.646 17518
7683 1 14 . 1 1 56 56 SER HA H 475 4.539 4.539 4.363 0.176 17518
7684 1 14 . 1 1 56 56 SER C C 475 173.662 173.662 174.438 -0.776 17518
7685 1 14 . 1 1 56 56 SER CA C 475 58.121 58.121 59.155 -1.034 17518
7686 1 14 . 1 1 56 56 SER CB C 475 65.000 65.000 63.547 1.453 17518
7687 1 14 . 1 1 56 56 SER H H 475 8.756 8.756 8.798 -0.042 17518
7688 1 14 . 1 1 57 57 GLN N N 476 117.023 117.023 117.140 -0.117 17518
7689 1 14 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.770 0.288 17518
7690 1 14 . 1 1 57 57 GLN C C 476 173.042 173.042 173.409 -0.367 17518
7691 1 14 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.042 -0.818 17518
7692 1 14 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.434 0.175 17518
7693 1 14 . 1 1 57 57 GLN H H 476 7.139 7.139 7.490 -0.351 17518
7694 1 14 . 1 1 58 58 LEU N N 477 121.156 121.156 120.801 0.355 17518
7695 1 14 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.094 -0.348 17518
7696 1 14 . 1 1 58 58 LEU C C 477 173.922 173.922 174.375 -0.453 17518
7697 1 14 . 1 1 58 58 LEU CA C 477 53.508 53.508 53.778 -0.270 17518
7698 1 14 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.241 1.039 17518
7699 1 14 . 1 1 58 58 LEU H H 477 9.149 9.149 9.235 -0.086 17518
7700 1 14 . 1 1 59 59 GLU N N 478 126.375 126.375 124.692 1.683 17518
7701 1 14 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.625 -0.269 17518
7702 1 14 . 1 1 59 59 GLU C C 478 175.481 175.481 175.524 -0.043 17518
7703 1 14 . 1 1 59 59 GLU CA C 478 54.597 54.597 55.558 -0.961 17518
7704 1 14 . 1 1 59 59 GLU CB C 478 32.759 32.759 33.047 -0.288 17518
7705 1 14 . 1 1 59 59 GLU H H 478 8.558 8.558 9.185 -0.627 17518
7706 1 14 . 1 1 60 60 ALA N N 479 124.321 124.321 125.843 -1.522 17518
7707 1 14 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.850 -0.058 17518
7708 1 14 . 1 1 60 60 ALA C C 479 174.955 174.955 175.420 -0.465 17518
7709 1 14 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.775 0.366 17518
7710 1 14 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.644 1.450 17518
7711 1 14 . 1 1 60 60 ALA H H 479 9.614 9.614 9.550 0.064 17518
7712 1 14 . 1 1 61 61 ALA N N 480 120.954 120.954 122.093 -1.139 17518
7713 1 14 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.497 -0.703 17518
7714 1 14 . 1 1 61 61 ALA C C 480 174.782 174.782 175.205 -0.423 17518
7715 1 14 . 1 1 61 61 ALA CA C 480 51.257 51.257 50.938 0.319 17518
7716 1 14 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.759 0.455 17518
7717 1 14 . 1 1 61 61 ALA H H 480 9.346 9.346 8.747 0.599 17518
7718 1 14 . 1 1 62 62 PHE N N 481 117.021 117.021 122.068 -5.047 17518
7719 1 14 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.885 0.999 17518
7720 1 14 . 1 1 62 62 PHE C C 481 175.044 175.044 173.200 1.844 17518
7721 1 14 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.062 1.526 17518
7722 1 14 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.601 0.662 17518
7723 1 14 . 1 1 62 62 PHE H H 481 8.351 8.351 8.971 -0.620 17518
7724 1 14 . 1 1 63 63 ASN N N 482 116.362 116.362 121.995 -5.633 17518
7725 1 14 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.433 0.675 17518
7726 1 14 . 1 1 63 63 ASN C C 482 172.088 172.088 173.877 -1.789 17518
7727 1 14 . 1 1 63 63 ASN CA C 482 53.710 53.710 51.999 1.711 17518
7728 1 14 . 1 1 63 63 ASN CB C 482 41.348 41.348 41.805 -0.457 17518
7729 1 14 . 1 1 63 63 ASN H H 482 9.077 9.077 8.240 0.837 17518
7730 1 14 . 1 1 64 64 ASP N N 483 118.002 118.002 120.612 -2.610 17518
7731 1 14 . 1 1 64 64 ASP HA H 483 4.184 4.184 3.760 0.424 17518
7732 1 14 . 1 1 64 64 ASP C C 483 177.271 177.271 176.380 0.891 17518
7733 1 14 . 1 1 64 64 ASP CA C 483 52.301 52.301 53.275 -0.974 17518
7734 1 14 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.415 1.472 17518
7735 1 14 . 1 1 64 64 ASP H H 483 7.482 7.482 7.886 -0.404 17518
7736 1 14 . 1 1 65 65 GLY N N 484 110.602 110.602 107.561 3.041 17518
7737 1 14 . 1 1 65 65 GLY C C 484 173.156 173.156 174.097 -0.941 17518
7738 1 14 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.257 0.358 17518
7739 1 14 . 1 1 65 65 GLY H H 484 8.696 8.696 7.634 1.062 17518
7740 1 14 . 1 1 66 66 ASN N N 485 120.867 120.867 118.907 1.960 17518
7741 1 14 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.597 0.107 17518
7742 1 14 . 1 1 66 66 ASN C C 485 174.442 174.442 174.775 -0.333 17518
7743 1 14 . 1 1 66 66 ASN CA C 485 52.311 52.311 55.149 -2.838 17518
7744 1 14 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.088 0.403 17518
7745 1 14 . 1 1 66 66 ASN H H 485 8.371 8.371 8.324 0.047 17518
7746 1 14 . 1 1 67 67 ASN N N 486 113.518 113.518 114.805 -1.287 17518
7747 1 14 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.917 -0.739 17518
7748 1 14 . 1 1 67 67 ASN C C 486 173.845 173.845 173.626 0.219 17518
7749 1 14 . 1 1 67 67 ASN CA C 486 54.486 54.486 53.055 1.431 17518
7750 1 14 . 1 1 67 67 ASN CB C 486 38.267 38.267 40.782 -2.515 17518
7751 1 14 . 1 1 67 67 ASN H H 486 8.700 8.700 8.452 0.248 17518
7752 1 14 . 1 1 68 68 ASN N N 487 118.464 118.464 120.084 -1.620 17518
7753 1 14 . 1 1 68 68 ASN HA H 487 5.058 5.058 5.121 -0.063 17518
7754 1 14 . 1 1 68 68 ASN C C 487 173.449 173.449 173.554 -0.105 17518
7755 1 14 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.807 0.461 17518
7756 1 14 . 1 1 68 68 ASN CB C 487 38.813 38.813 40.393 -1.580 17518
7757 1 14 . 1 1 68 68 ASN H H 487 7.975 7.975 8.551 -0.576 17518
7758 1 14 . 1 1 69 69 TRP N N 488 120.817 120.817 122.359 -1.542 17518
7759 1 14 . 1 1 69 69 TRP HA H 488 4.822 4.822 5.050 -0.228 17518
7760 1 14 . 1 1 69 69 TRP C C 488 176.268 176.268 175.671 0.597 17518
7761 1 14 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.473 1.705 17518
7762 1 14 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.773 0.558 17518
7763 1 14 . 1 1 69 69 TRP H H 488 8.771 8.771 8.653 0.118 17518
7764 1 14 . 1 1 70 70 ASP N N 489 122.179 122.179 119.700 2.479 17518
7765 1 14 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.240 -0.044 17518
7766 1 14 . 1 1 70 70 ASP C C 489 175.441 175.441 174.497 0.944 17518
7767 1 14 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.217 -0.872 17518
7768 1 14 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.998 -2.030 17518
7769 1 14 . 1 1 70 70 ASP H H 489 9.795 9.795 9.051 0.744 17518
7770 1 14 . 1 1 71 71 SER N N 490 117.314 117.314 116.957 0.357 17518
7771 1 14 . 1 1 71 71 SER HA H 490 5.084 5.084 4.632 0.452 17518
7772 1 14 . 1 1 71 71 SER C C 490 175.277 175.277 173.552 1.725 17518
7773 1 14 . 1 1 71 71 SER CA C 490 56.099 56.099 55.806 0.293 17518
7774 1 14 . 1 1 71 71 SER CB C 490 66.550 66.550 65.772 0.778 17518
7775 1 14 . 1 1 71 71 SER H H 490 9.238 9.238 8.056 1.182 17518
7776 1 14 . 1 1 72 72 ASN N N 491 122.911 122.911 121.224 1.687 17518
7777 1 14 . 1 1 72 72 ASN HA H 491 4.367 4.367 4.109 0.258 17518
7778 1 14 . 1 1 72 72 ASN C C 491 176.857 176.857 175.428 1.429 17518
7779 1 14 . 1 1 72 72 ASN CA C 491 53.192 53.192 53.775 -0.583 17518
7780 1 14 . 1 1 72 72 ASN CB C 491 35.574 35.574 36.795 -1.221 17518
7781 1 14 . 1 1 72 72 ASN H H 491 8.536 8.536 8.618 -0.082 17518
7782 1 14 . 1 1 73 73 ASN N N 492 116.146 116.146 118.059 -1.913 17518
7783 1 14 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.485 -0.100 17518
7784 1 14 . 1 1 73 73 ASN C C 492 176.335 176.335 174.410 1.925 17518
7785 1 14 . 1 1 73 73 ASN CA C 492 54.488 54.488 55.380 -0.892 17518
7786 1 14 . 1 1 73 73 ASN CB C 492 37.331 37.331 37.779 -0.448 17518
7787 1 14 . 1 1 73 73 ASN H H 492 9.086 9.086 9.000 0.086 17518
7788 1 14 . 1 1 74 74 THR N N 493 110.420 110.420 110.075 0.345 17518
7789 1 14 . 1 1 74 74 THR HA H 493 3.779 3.779 4.289 -0.510 17518
7790 1 14 . 1 1 74 74 THR C C 493 173.194 173.194 173.156 0.038 17518
7791 1 14 . 1 1 74 74 THR CA C 493 65.027 65.027 62.758 2.269 17518
7792 1 14 . 1 1 74 74 THR CB C 493 69.730 69.730 68.373 1.358 17518
7793 1 14 . 1 1 74 74 THR H H 493 7.782 7.782 7.504 0.278 17518
7794 1 14 . 1 1 75 75 LYS N N 494 121.968 121.968 119.749 2.219 17518
7795 1 14 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.491 -0.424 17518
7796 1 14 . 1 1 75 75 LYS C C 494 177.470 177.470 174.931 2.539 17518
7797 1 14 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.299 1.710 17518
7798 1 14 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.970 -3.384 17518
7799 1 14 . 1 1 75 75 LYS H H 494 7.652 7.652 8.415 -0.763 17518
7800 1 14 . 1 1 76 76 ASN N N 495 108.525 108.525 115.592 -7.067 17518
7801 1 14 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.674 -0.744 17518
7802 1 14 . 1 1 76 76 ASN C C 495 172.085 172.085 173.391 -1.306 17518
7803 1 14 . 1 1 76 76 ASN CA C 495 54.413 54.413 53.272 1.141 17518
7804 1 14 . 1 1 76 76 ASN CB C 495 39.048 39.048 40.143 -1.095 17518
7805 1 14 . 1 1 76 76 ASN H H 495 8.197 8.197 7.786 0.411 17518
7806 1 14 . 1 1 77 77 TYR N N 496 118.076 118.076 120.619 -2.543 17518
7807 1 14 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.595 0.198 17518
7808 1 14 . 1 1 77 77 TYR C C 496 175.074 175.074 175.007 0.067 17518
7809 1 14 . 1 1 77 77 TYR CA C 496 57.671 57.671 58.418 -0.747 17518
7810 1 14 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.243 1.542 17518
7811 1 14 . 1 1 77 77 TYR H H 496 9.133 9.133 8.811 0.322 17518
7812 1 14 . 1 1 78 78 SER N N 497 116.400 116.400 116.465 -0.065 17518
7813 1 14 . 1 1 78 78 SER HA H 497 5.345 5.345 5.203 0.142 17518
7814 1 14 . 1 1 78 78 SER C C 497 173.130 173.130 172.896 0.234 17518
7815 1 14 . 1 1 78 78 SER CA C 497 57.191 57.191 56.844 0.347 17518
7816 1 14 . 1 1 78 78 SER CB C 497 64.293 64.293 64.500 -0.207 17518
7817 1 14 . 1 1 78 78 SER H H 497 8.204 8.204 8.133 0.071 17518
7818 1 14 . 1 1 79 79 PHE N N 498 123.023 123.023 124.615 -1.592 17518
7819 1 14 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.865 -0.055 17518
7820 1 14 . 1 1 79 79 PHE C C 498 175.275 175.275 174.540 0.735 17518
7821 1 14 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.436 0.571 17518
7822 1 14 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.166 -0.177 17518
7823 1 14 . 1 1 79 79 PHE H H 498 9.054 9.054 9.654 -0.600 17518
7824 1 14 . 1 1 80 80 SER N N 499 117.002 117.002 117.475 -0.473 17518
7825 1 14 . 1 1 80 80 SER HA H 499 4.997 4.997 4.773 0.224 17518
7826 1 14 . 1 1 80 80 SER C C 499 173.356 173.356 174.993 -1.637 17518
7827 1 14 . 1 1 80 80 SER CA C 499 57.357 57.357 57.667 -0.310 17518
7828 1 14 . 1 1 80 80 SER CB C 499 65.301 65.301 64.198 1.103 17518
7829 1 14 . 1 1 80 80 SER H H 499 8.804 8.804 8.578 0.226 17518
7830 1 14 . 1 1 81 81 THR N N 500 112.529 112.529 113.359 -0.830 17518
7831 1 14 . 1 1 81 81 THR HA H 500 3.820 3.820 3.845 -0.025 17518
7832 1 14 . 1 1 81 81 THR C C 500 174.378 174.378 175.201 -0.823 17518
7833 1 14 . 1 1 81 81 THR CA C 500 64.220 64.220 63.229 0.991 17518
7834 1 14 . 1 1 81 81 THR CB C 500 69.475 69.475 68.888 0.587 17518
7835 1 14 . 1 1 81 81 THR H H 500 7.559 7.559 8.332 -0.773 17518
7836 1 14 . 1 1 82 82 GLY N N 501 112.234 112.234 113.804 -1.570 17518
7837 1 14 . 1 1 82 82 GLY C C 501 174.342 174.342 172.201 2.141 17518
7838 1 14 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.628 -0.833 17518
7839 1 14 . 1 1 82 82 GLY H H 501 8.409 8.409 8.475 -0.066 17518
7840 1 14 . 1 1 83 83 THR N N 502 120.411 120.411 116.629 3.782 17518
7841 1 14 . 1 1 83 83 THR HA H 502 5.487 5.487 5.291 0.196 17518
7842 1 14 . 1 1 83 83 THR C C 502 174.798 174.798 173.258 1.540 17518
7843 1 14 . 1 1 83 83 THR CA C 502 62.497 62.497 61.050 1.447 17518
7844 1 14 . 1 1 83 83 THR CB C 502 69.978 69.978 71.357 -1.379 17518
7845 1 14 . 1 1 83 83 THR H H 502 8.729 8.729 8.110 0.619 17518
7846 1 14 . 1 1 84 84 SER N N 503 123.023 123.023 120.761 2.262 17518
7847 1 14 . 1 1 84 84 SER HA H 503 5.409 5.409 5.254 0.155 17518
7848 1 14 . 1 1 84 84 SER C C 503 171.976 171.976 173.205 -1.229 17518
7849 1 14 . 1 1 84 84 SER CA C 503 58.675 58.675 56.889 1.786 17518
7850 1 14 . 1 1 84 84 SER CB C 503 67.607 67.607 66.562 1.045 17518
7851 1 14 . 1 1 84 84 SER H H 503 9.121 9.121 9.153 -0.032 17518
7852 1 14 . 1 1 85 85 THR N N 504 118.388 118.388 119.470 -1.082 17518
7853 1 14 . 1 1 85 85 THR HA H 504 5.241 5.241 5.092 0.149 17518
7854 1 14 . 1 1 85 85 THR C C 504 172.930 172.930 173.030 -0.100 17518
7855 1 14 . 1 1 85 85 THR CA C 504 62.672 62.672 62.998 -0.326 17518
7856 1 14 . 1 1 85 85 THR CB C 504 70.641 70.641 71.277 -0.636 17518
7857 1 14 . 1 1 85 85 THR H H 504 9.445 9.445 8.619 0.826 17518
7858 1 14 . 1 1 86 86 TYR N N 505 129.195 129.195 128.871 0.324 17518
7859 1 14 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.611 -0.502 17518
7860 1 14 . 1 1 86 86 TYR C C 505 173.063 173.063 173.852 -0.789 17518
7861 1 14 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.836 1.444 17518
7862 1 14 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.064 -0.404 17518
7863 1 14 . 1 1 86 86 TYR H H 505 9.858 9.858 9.675 0.183 17518
7864 1 14 . 1 1 87 87 THR N N 506 124.861 124.861 123.194 1.667 17518
7865 1 14 . 1 1 87 87 THR HA H 506 4.288 4.288 4.938 -0.650 17518
7866 1 14 . 1 1 87 87 THR C C 506 171.472 171.472 171.962 -0.490 17518
7867 1 14 . 1 1 87 87 THR CA C 506 58.917 58.917 59.212 -0.295 17518
7868 1 14 . 1 1 87 87 THR CB C 506 70.055 70.055 71.354 -1.299 17518
7869 1 14 . 1 1 87 87 THR H H 506 7.906 7.906 8.789 -0.883 17518
7870 1 14 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.732 -0.726 17518
7871 1 14 . 1 1 88 88 PRO C C 507 176.975 176.975 176.771 0.204 17518
7872 1 14 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.521 0.477 17518
7873 1 14 . 1 1 88 88 PRO CB C 507 32.374 32.374 33.234 -0.860 17518
7874 1 14 . 1 1 89 89 GLY N N 508 108.823 108.823 109.640 -0.817 17518
7875 1 14 . 1 1 89 89 GLY C C 508 173.757 173.757 173.221 0.536 17518
7876 1 14 . 1 1 89 89 GLY CA C 508 44.078 44.078 43.820 0.258 17518
7877 1 14 . 1 1 89 89 GLY H H 508 8.294 8.294 8.361 -0.067 17518
7878 1 14 . 1 1 90 90 ASN N N 509 117.850 117.850 116.658 1.192 17518
7879 1 14 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.685 0.038 17518
7880 1 14 . 1 1 90 90 ASN C C 509 176.078 176.078 174.499 1.579 17518
7881 1 14 . 1 1 90 90 ASN CA C 509 52.906 52.906 52.703 0.202 17518
7882 1 14 . 1 1 90 90 ASN CB C 509 39.922 39.922 39.255 0.667 17518
7883 1 14 . 1 1 90 90 ASN H H 509 8.434 8.434 7.689 0.745 17518
7884 1 14 . 1 1 91 91 SER N N 510 114.973 114.973 115.072 -0.099 17518
7885 1 14 . 1 1 91 91 SER HA H 510 4.133 4.133 4.153 -0.020 17518
7886 1 14 . 1 1 91 91 SER C C 510 174.773 174.773 174.361 0.412 17518
7887 1 14 . 1 1 91 91 SER CA C 510 58.662 58.662 60.936 -2.274 17518
7888 1 14 . 1 1 91 91 SER CB C 510 62.209 62.209 61.993 0.216 17518
7889 1 14 . 1 1 91 91 SER H H 510 8.819 8.819 9.047 -0.228 17518
7890 1 14 . 1 1 92 92 GLY N N 511 108.552 108.552 112.048 -3.496 17518
7891 1 14 . 1 1 92 92 GLY C C 511 174.613 174.613 174.153 0.460 17518
7892 1 14 . 1 1 92 92 GLY CA C 511 45.263 45.263 44.952 0.312 17518
7893 1 14 . 1 1 92 92 GLY H H 511 8.472 8.472 8.612 -0.140 17518
7894 1 14 . 1 1 93 93 ASN N N 512 119.035 119.035 119.125 -0.090 17518
7895 1 14 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.846 -0.076 17518
7896 1 14 . 1 1 93 93 ASN C C 512 174.627 174.627 173.251 1.376 17518
7897 1 14 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.925 -0.092 17518
7898 1 14 . 1 1 93 93 ASN CB C 512 39.771 39.771 40.659 -0.888 17518
7899 1 14 . 1 1 93 93 ASN H H 512 7.985 7.985 8.356 -0.371 17518
7900 1 14 . 1 1 94 94 ALA N N 513 123.854 123.854 121.388 2.466 17518
7901 1 14 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.481 0.123 17518
7902 1 14 . 1 1 94 94 ALA C C 513 178.511 178.511 176.361 2.150 17518
7903 1 14 . 1 1 94 94 ALA CA C 513 52.699 52.699 52.278 0.421 17518
7904 1 14 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.093 0.315 17518
7905 1 14 . 1 1 94 94 ALA H H 513 8.442 8.442 8.174 0.268 17518
7906 1 14 . 1 1 95 95 GLY N N 514 108.880 108.880 111.771 -2.891 17518
7907 1 14 . 1 1 95 95 GLY C C 514 173.104 173.104 174.016 -0.912 17518
7908 1 14 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.276 -0.382 17518
7909 1 14 . 1 1 95 95 GLY H H 514 8.353 8.353 8.501 -0.148 17518
7910 1 14 . 1 1 96 96 THR N N 515 110.444 110.444 116.140 -5.696 17518
7911 1 14 . 1 1 96 96 THR HA H 515 4.504 4.504 4.520 -0.016 17518
7912 1 14 . 1 1 96 96 THR C C 515 173.214 173.214 173.817 -0.603 17518
7913 1 14 . 1 1 96 96 THR CA C 515 60.947 60.947 60.781 0.166 17518
7914 1 14 . 1 1 96 96 THR CB C 515 72.111 72.111 70.604 1.507 17518
7915 1 14 . 1 1 96 96 THR H H 515 7.839 7.839 8.645 -0.806 17518
7916 1 14 . 1 1 97 97 ILE N N 516 126.770 126.770 123.876 2.894 17518
7917 1 14 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.175 -0.204 17518
7918 1 14 . 1 1 97 97 ILE C C 516 176.061 176.061 175.959 0.102 17518
7919 1 14 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.641 1.404 17518
7920 1 14 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.524 -0.782 17518
7921 1 14 . 1 1 97 97 ILE H H 516 8.733 8.733 8.338 0.395 17518
7922 1 14 . 1 1 98 98 THR N N 517 121.307 121.307 119.463 1.844 17518
7923 1 14 . 1 1 98 98 THR HA H 517 4.693 4.693 4.713 -0.020 17518
7924 1 14 . 1 1 98 98 THR C C 517 173.622 173.622 173.820 -0.198 17518
7925 1 14 . 1 1 98 98 THR CA C 517 59.692 59.692 60.020 -0.328 17518
7926 1 14 . 1 1 98 98 THR CB C 517 71.290 71.290 71.323 -0.033 17518
7927 1 14 . 1 1 98 98 THR H H 517 9.270 9.270 8.949 0.321 17518
7928 1 14 . 1 1 99 99 SER N N 518 118.544 118.544 118.650 -0.106 17518
7929 1 14 . 1 1 99 99 SER HA H 518 4.548 4.548 4.685 -0.137 17518
7930 1 14 . 1 1 99 99 SER C C 518 175.405 175.405 174.002 1.403 17518
7931 1 14 . 1 1 99 99 SER CA C 518 59.662 59.662 58.285 1.377 17518
7932 1 14 . 1 1 99 99 SER CB C 518 63.836 63.836 63.158 0.678 17518
7933 1 14 . 1 1 99 99 SER H H 518 8.667 8.667 8.717 -0.050 17518
7934 1 14 . 1 1 100 100 GLY N N 519 113.982 113.982 111.572 2.410 17518
7935 1 14 . 1 1 100 100 GLY C C 519 171.714 171.714 172.743 -1.029 17518
7936 1 14 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.323 -0.250 17518
7937 1 14 . 1 1 100 100 GLY H H 519 8.443 8.443 7.691 0.752 17518
7938 1 14 . 1 1 101 101 ALA N N 520 120.741 120.741 125.587 -4.846 17518
7939 1 14 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.603 -0.996 17518
7940 1 14 . 1 1 101 101 ALA CA C 520 49.463 49.463 51.004 -1.541 17518
7941 1 14 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.447 -1.315 17518
7942 1 14 . 1 1 101 101 ALA H H 520 7.908 7.908 8.238 -0.330 17518
7943 1 14 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.376 -0.334 17518
7944 1 14 . 1 1 102 102 PRO C C 521 175.467 175.467 176.473 -1.006 17518
7945 1 14 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.722 -0.024 17518
7946 1 14 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.316 -0.451 17518
7947 1 14 . 1 1 103 103 ALA N N 522 122.930 122.930 125.733 -2.803 17518
7948 1 14 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.431 -0.318 17518
7949 1 14 . 1 1 103 103 ALA C C 522 177.009 177.009 177.244 -0.235 17518
7950 1 14 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.698 0.258 17518
7951 1 14 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.023 1.666 17518
7952 1 14 . 1 1 103 103 ALA H H 522 7.993 7.993 8.481 -0.488 17518
7953 1 15 . 1 1 2 2 GLY C C 421 174.167 174.167 173.360 0.807 17518
7954 1 15 . 1 1 2 2 GLY CA C 421 45.259 45.259 45.392 -0.134 17518
7955 1 15 . 1 1 3 3 THR N N 422 113.380 113.380 117.371 -3.991 17518
7956 1 15 . 1 1 3 3 THR HA H 422 4.348 4.348 4.143 0.205 17518
7957 1 15 . 1 1 3 3 THR C C 422 174.773 174.773 174.590 0.183 17518
7958 1 15 . 1 1 3 3 THR CA C 422 61.357 61.357 62.880 -1.523 17518
7959 1 15 . 1 1 3 3 THR CB C 422 69.791 69.791 68.883 0.908 17518
7960 1 15 . 1 1 3 3 THR H H 422 8.099 8.099 8.103 -0.004 17518
7961 1 15 . 1 1 4 4 GLY N N 423 113.124 113.124 116.237 -3.113 17518
7962 1 15 . 1 1 4 4 GLY C C 423 173.909 173.909 173.306 0.603 17518
7963 1 15 . 1 1 4 4 GLY CA C 423 45.058 45.058 45.353 -0.295 17518
7964 1 15 . 1 1 4 4 GLY H H 423 8.770 8.770 8.589 0.180 17518
7965 1 15 . 1 1 5 5 ASN N N 424 121.226 121.226 118.412 2.814 17518
7966 1 15 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.981 -0.407 17518
7967 1 15 . 1 1 5 5 ASN C C 424 174.450 174.450 173.508 0.942 17518
7968 1 15 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.615 0.622 17518
7969 1 15 . 1 1 5 5 ASN CB C 424 38.520 38.520 41.929 -3.409 17518
7970 1 15 . 1 1 5 5 ASN H H 424 8.988 8.988 8.425 0.563 17518
7971 1 15 . 1 1 6 6 LYS N N 425 119.587 119.587 120.517 -0.930 17518
7972 1 15 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.670 0.459 17518
7973 1 15 . 1 1 6 6 LYS C C 425 176.281 176.281 174.640 1.641 17518
7974 1 15 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.359 -0.965 17518
7975 1 15 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.704 -0.256 17518
7976 1 15 . 1 1 6 6 LYS H H 425 8.354 8.354 8.467 -0.113 17518
7977 1 15 . 1 1 7 7 VAL N N 426 124.203 124.203 126.264 -2.061 17518
7978 1 15 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.956 -0.494 17518
7979 1 15 . 1 1 7 7 VAL C C 426 174.564 174.564 174.655 -0.091 17518
7980 1 15 . 1 1 7 7 VAL CA C 426 61.369 61.369 61.037 0.332 17518
7981 1 15 . 1 1 7 7 VAL CB C 426 34.432 34.432 34.940 -0.508 17518
7982 1 15 . 1 1 7 7 VAL H H 426 8.774 8.774 8.977 -0.203 17518
7983 1 15 . 1 1 8 8 THR N N 427 125.363 125.363 123.876 1.487 17518
7984 1 15 . 1 1 8 8 THR HA H 427 5.326 5.326 5.427 -0.101 17518
7985 1 15 . 1 1 8 8 THR C C 427 173.108 173.108 173.383 -0.275 17518
7986 1 15 . 1 1 8 8 THR CA C 427 61.752 61.752 61.269 0.483 17518
7987 1 15 . 1 1 8 8 THR CB C 427 69.860 69.860 70.599 -0.739 17518
7988 1 15 . 1 1 8 8 THR H H 427 8.851 8.851 9.146 -0.295 17518
7989 1 15 . 1 1 9 9 ILE N N 428 127.015 127.015 126.187 0.828 17518
7990 1 15 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.842 -0.186 17518
7991 1 15 . 1 1 9 9 ILE C C 428 175.404 175.404 174.237 1.167 17518
7992 1 15 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.420 -0.540 17518
7993 1 15 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.846 1.345 17518
7994 1 15 . 1 1 9 9 ILE H H 428 8.628 8.628 9.175 -0.547 17518
7995 1 15 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.457 -0.288 17518
7996 1 15 . 1 1 10 10 TYR C C 429 174.161 174.161 174.991 -0.830 17518
7997 1 15 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.307 2.944 17518
7998 1 15 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.278 1.105 17518
7999 1 15 . 1 1 10 10 TYR H H 429 9.069 9.069 9.244 -0.175 17518
8000 1 15 . 1 1 11 11 TYR N N 430 125.905 125.905 125.721 0.184 17518
8001 1 15 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.671 -0.681 17518
8002 1 15 . 1 1 11 11 TYR C C 430 173.359 173.359 174.237 -0.878 17518
8003 1 15 . 1 1 11 11 TYR CA C 430 56.630 56.630 54.330 2.300 17518
8004 1 15 . 1 1 11 11 TYR CB C 430 42.942 42.942 41.822 1.121 17518
8005 1 15 . 1 1 11 11 TYR H H 430 9.500 9.500 9.047 0.453 17518
8006 1 15 . 1 1 12 12 LYS N N 431 131.688 131.688 125.203 6.485 17518
8007 1 15 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.044 1.318 17518
8008 1 15 . 1 1 12 12 LYS C C 431 172.929 172.929 174.584 -1.655 17518
8009 1 15 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.098 0.769 17518
8010 1 15 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.443 0.728 17518
8011 1 15 . 1 1 12 12 LYS H H 431 8.410 8.410 8.174 0.236 17518
8012 1 15 . 1 1 13 13 LYS N N 432 125.124 125.124 125.825 -0.701 17518
8013 1 15 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.752 0.120 17518
8014 1 15 . 1 1 13 13 LYS C C 432 180.107 180.107 176.223 3.884 17518
8015 1 15 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.257 -3.749 17518
8016 1 15 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.210 -0.556 17518
8017 1 15 . 1 1 14 14 GLY N N 433 112.761 112.761 112.359 0.402 17518
8018 1 15 . 1 1 14 14 GLY C C 433 174.180 174.180 174.253 -0.073 17518
8019 1 15 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.170 1.171 17518
8020 1 15 . 1 1 14 14 GLY H H 433 7.585 7.585 8.444 -0.859 17518
8021 1 15 . 1 1 15 15 PHE N N 434 121.529 121.529 118.665 2.864 17518
8022 1 15 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.633 0.058 17518
8023 1 15 . 1 1 15 15 PHE C C 434 175.899 175.899 175.860 0.039 17518
8024 1 15 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.003 -1.846 17518
8025 1 15 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.772 -2.300 17518
8026 1 15 . 1 1 15 15 PHE H H 434 8.454 8.454 7.920 0.534 17518
8027 1 15 . 1 1 16 16 ASN N N 435 117.583 117.583 116.566 1.017 17518
8028 1 15 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.560 -0.161 17518
8029 1 15 . 1 1 16 16 ASN C C 435 176.259 176.259 173.678 2.581 17518
8030 1 15 . 1 1 16 16 ASN CA C 435 56.521 56.521 53.951 2.570 17518
8031 1 15 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.025 1.341 17518
8032 1 15 . 1 1 16 16 ASN H H 435 8.513 8.513 8.475 0.038 17518
8033 1 15 . 1 1 17 17 SER N N 436 112.889 112.889 117.300 -4.411 17518
8034 1 15 . 1 1 17 17 SER HA H 436 4.798 4.798 4.998 -0.200 17518
8035 1 15 . 1 1 17 17 SER C C 436 171.151 171.151 172.005 -0.854 17518
8036 1 15 . 1 1 17 17 SER CA C 436 53.721 53.721 56.163 -2.442 17518
8037 1 15 . 1 1 17 17 SER CB C 436 63.834 63.834 64.277 -0.443 17518
8038 1 15 . 1 1 17 17 SER H H 436 8.315 8.315 8.519 -0.204 17518
8039 1 15 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.846 -0.284 17518
8040 1 15 . 1 1 18 18 PRO C C 437 175.812 175.812 175.961 -0.149 17518
8041 1 15 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.177 0.440 17518
8042 1 15 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.681 0.093 17518
8043 1 15 . 1 1 19 19 TYR N N 438 122.060 122.060 118.846 3.214 17518
8044 1 15 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.857 -0.027 17518
8045 1 15 . 1 1 19 19 TYR C C 438 174.732 174.732 174.941 -0.209 17518
8046 1 15 . 1 1 19 19 TYR CA C 438 56.729 56.729 57.187 -0.458 17518
8047 1 15 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.518 -0.760 17518
8048 1 15 . 1 1 19 19 TYR H H 438 9.072 9.072 8.583 0.489 17518
8049 1 15 . 1 1 20 20 ILE N N 439 118.018 118.018 119.922 -1.904 17518
8050 1 15 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.902 0.086 17518
8051 1 15 . 1 1 20 20 ILE C C 439 171.341 171.341 174.218 -2.877 17518
8052 1 15 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.605 -1.032 17518
8053 1 15 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.504 0.154 17518
8054 1 15 . 1 1 20 20 ILE H H 439 9.164 9.164 9.228 -0.064 17518
8055 1 15 . 1 1 21 21 HIS N N 440 133.346 133.346 129.677 3.669 17518
8056 1 15 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.836 0.539 17518
8057 1 15 . 1 1 21 21 HIS C C 440 174.947 174.947 174.174 0.773 17518
8058 1 15 . 1 1 21 21 HIS CA C 440 53.801 53.801 55.027 -1.226 17518
8059 1 15 . 1 1 21 21 HIS CB C 440 35.001 35.001 32.654 2.347 17518
8060 1 15 . 1 1 21 21 HIS H H 440 8.843 8.843 8.847 -0.004 17518
8061 1 15 . 1 1 22 22 TYR N N 441 121.863 121.863 121.982 -0.119 17518
8062 1 15 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.793 0.264 17518
8063 1 15 . 1 1 22 22 TYR C C 441 173.567 173.567 173.331 0.236 17518
8064 1 15 . 1 1 22 22 TYR CA C 441 56.693 56.693 55.879 0.814 17518
8065 1 15 . 1 1 22 22 TYR CB C 441 42.796 42.796 42.157 0.638 17518
8066 1 15 . 1 1 22 22 TYR H H 441 8.231 8.231 8.298 -0.067 17518
8067 1 15 . 1 1 23 23 ARG N N 442 116.788 116.788 121.149 -4.361 17518
8068 1 15 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.913 -0.282 17518
8069 1 15 . 1 1 23 23 ARG CA C 442 52.360 52.360 53.380 -1.020 17518
8070 1 15 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.921 -1.607 17518
8071 1 15 . 1 1 23 23 ARG H H 442 8.456 8.456 9.166 -0.710 17518
8072 1 15 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.584 -0.077 17518
8073 1 15 . 1 1 24 24 PRO C C 443 176.258 176.258 176.035 0.223 17518
8074 1 15 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.925 0.319 17518
8075 1 15 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.309 -0.113 17518
8076 1 15 . 1 1 25 25 ALA N N 444 125.666 125.666 126.368 -0.702 17518
8077 1 15 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.964 -0.006 17518
8078 1 15 . 1 1 25 25 ALA C C 444 179.221 179.221 177.540 1.681 17518
8079 1 15 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.568 0.612 17518
8080 1 15 . 1 1 25 25 ALA CB C 444 18.420 18.420 18.090 0.330 17518
8081 1 15 . 1 1 25 25 ALA H H 444 8.230 8.230 8.284 -0.054 17518
8082 1 15 . 1 1 26 26 GLY N N 445 112.217 112.217 110.089 2.128 17518
8083 1 15 . 1 1 26 26 GLY C C 445 174.734 174.734 174.532 0.202 17518
8084 1 15 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.661 1.001 17518
8085 1 15 . 1 1 26 26 GLY H H 445 8.591 8.591 7.913 0.678 17518
8086 1 15 . 1 1 27 27 GLY N N 446 109.489 109.489 109.192 0.297 17518
8087 1 15 . 1 1 27 27 GLY C C 446 173.379 173.379 172.912 0.467 17518
8088 1 15 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.541 -0.424 17518
8089 1 15 . 1 1 27 27 GLY H H 446 8.380 8.380 8.435 -0.055 17518
8090 1 15 . 1 1 28 28 SER N N 447 117.275 117.275 114.073 3.202 17518
8091 1 15 . 1 1 28 28 SER HA H 447 4.637 4.637 4.506 0.131 17518
8092 1 15 . 1 1 28 28 SER C C 447 173.759 173.759 173.083 0.676 17518
8093 1 15 . 1 1 28 28 SER CA C 447 57.410 57.410 57.658 -0.248 17518
8094 1 15 . 1 1 28 28 SER CB C 447 65.022 65.022 65.702 -0.680 17518
8095 1 15 . 1 1 28 28 SER H H 447 8.585 8.585 8.238 0.347 17518
8096 1 15 . 1 1 29 29 TRP N N 448 123.426 123.426 122.534 0.892 17518
8097 1 15 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.515 -0.122 17518
8098 1 15 . 1 1 29 29 TRP C C 448 178.997 178.997 177.115 1.882 17518
8099 1 15 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.792 0.374 17518
8100 1 15 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.296 0.310 17518
8101 1 15 . 1 1 29 29 TRP H H 448 8.346 8.346 8.389 -0.043 17518
8102 1 15 . 1 1 30 30 THR N N 449 111.168 111.168 113.331 -2.163 17518
8103 1 15 . 1 1 30 30 THR HA H 449 3.978 3.978 4.428 -0.450 17518
8104 1 15 . 1 1 30 30 THR C C 449 174.707 174.707 174.082 0.625 17518
8105 1 15 . 1 1 30 30 THR CA C 449 61.317 61.317 60.387 0.930 17518
8106 1 15 . 1 1 30 30 THR CB C 449 70.526 70.526 69.808 0.718 17518
8107 1 15 . 1 1 30 30 THR H H 449 7.888 7.888 9.220 -1.332 17518
8108 1 15 . 1 1 31 31 ALA N N 450 122.982 122.982 124.589 -1.607 17518
8109 1 15 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.135 0.264 17518
8110 1 15 . 1 1 31 31 ALA C C 450 178.443 178.443 177.042 1.401 17518
8111 1 15 . 1 1 31 31 ALA CA C 450 51.884 51.884 52.115 -0.231 17518
8112 1 15 . 1 1 31 31 ALA CB C 450 18.061 18.061 17.774 0.287 17518
8113 1 15 . 1 1 31 31 ALA H H 450 8.383 8.383 8.317 0.066 17518
8114 1 15 . 1 1 32 32 ALA N N 451 129.780 129.780 127.400 2.380 17518
8115 1 15 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.401 -0.543 17518
8116 1 15 . 1 1 32 32 ALA C C 451 175.997 175.997 176.230 -0.233 17518
8117 1 15 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.793 1.018 17518
8118 1 15 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.852 -2.606 17518
8119 1 15 . 1 1 32 32 ALA H H 451 8.778 8.778 7.957 0.821 17518
8120 1 15 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.684 -0.840 17518
8121 1 15 . 1 1 33 33 PRO C C 452 173.297 173.297 177.134 -3.837 17518
8122 1 15 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.273 1.459 17518
8123 1 15 . 1 1 33 33 PRO CB C 452 33.646 33.646 33.294 0.352 17518
8124 1 15 . 1 1 34 34 GLY N N 453 112.150 112.150 111.163 0.987 17518
8125 1 15 . 1 1 34 34 GLY C C 453 174.011 174.011 174.046 -0.035 17518
8126 1 15 . 1 1 34 34 GLY CA C 453 43.995 43.995 45.727 -1.732 17518
8127 1 15 . 1 1 34 34 GLY H H 453 8.685 8.685 8.009 0.676 17518
8128 1 15 . 1 1 35 35 VAL N N 454 123.276 123.276 119.919 3.357 17518
8129 1 15 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.408 -0.062 17518
8130 1 15 . 1 1 35 35 VAL C C 454 174.782 174.782 174.263 0.519 17518
8131 1 15 . 1 1 35 35 VAL CA C 454 60.959 60.959 59.840 1.119 17518
8132 1 15 . 1 1 35 35 VAL CB C 454 34.857 34.857 34.625 0.232 17518
8133 1 15 . 1 1 35 35 VAL H H 454 9.287 9.287 8.215 1.072 17518
8134 1 15 . 1 1 36 36 LYS N N 455 128.135 128.135 127.462 0.673 17518
8135 1 15 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.066 -1.005 17518
8136 1 15 . 1 1 36 36 LYS C C 455 176.438 176.438 175.931 0.507 17518
8137 1 15 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.209 1.014 17518
8138 1 15 . 1 1 36 36 LYS CB C 455 32.619 32.619 32.100 0.519 17518
8139 1 15 . 1 1 36 36 LYS H H 455 8.443 8.443 8.435 0.008 17518
8140 1 15 . 1 1 37 37 MET N N 456 124.850 124.850 126.078 -1.228 17518
8141 1 15 . 1 1 37 37 MET HA H 456 4.207 4.207 4.152 0.055 17518
8142 1 15 . 1 1 37 37 MET C C 456 175.590 175.590 176.150 -0.560 17518
8143 1 15 . 1 1 37 37 MET CA C 456 56.409 56.409 57.327 -0.918 17518
8144 1 15 . 1 1 37 37 MET CB C 456 34.978 34.978 31.752 3.226 17518
8145 1 15 . 1 1 37 37 MET H H 456 8.121 8.121 8.272 -0.151 17518
8146 1 15 . 1 1 38 38 GLN N N 457 121.555 121.555 123.274 -1.719 17518
8147 1 15 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.053 0.340 17518
8148 1 15 . 1 1 38 38 GLN C C 457 175.737 175.737 175.670 0.067 17518
8149 1 15 . 1 1 38 38 GLN CA C 457 54.783 54.783 57.093 -2.310 17518
8150 1 15 . 1 1 38 38 GLN CB C 457 30.307 30.307 29.027 1.280 17518
8151 1 15 . 1 1 38 38 GLN H H 457 8.441 8.441 8.589 -0.148 17518
8152 1 15 . 1 1 39 39 ASP N N 458 121.629 121.629 118.986 2.643 17518
8153 1 15 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.561 0.170 17518
8154 1 15 . 1 1 39 39 ASP C C 458 176.733 176.733 175.227 1.506 17518
8155 1 15 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.319 1.938 17518
8156 1 15 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.925 -0.567 17518
8157 1 15 . 1 1 39 39 ASP H H 458 8.720 8.720 8.419 0.301 17518
8158 1 15 . 1 1 40 40 ALA N N 459 122.646 122.646 125.156 -2.510 17518
8159 1 15 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.631 -0.339 17518
8160 1 15 . 1 1 40 40 ALA C C 459 175.201 175.201 177.742 -2.541 17518
8161 1 15 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.257 0.299 17518
8162 1 15 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.875 2.073 17518
8163 1 15 . 1 1 40 40 ALA H H 459 8.423 8.423 8.768 -0.345 17518
8164 1 15 . 1 1 41 41 GLU N N 460 120.190 120.190 126.230 -6.040 17518
8165 1 15 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.922 0.385 17518
8166 1 15 . 1 1 41 41 GLU C C 460 174.722 174.722 177.705 -2.983 17518
8167 1 15 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.298 -0.779 17518
8168 1 15 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.133 -1.797 17518
8169 1 15 . 1 1 41 41 GLU H H 460 10.341 10.341 8.871 1.470 17518
8170 1 15 . 1 1 42 42 ILE N N 461 119.473 119.473 118.518 0.955 17518
8171 1 15 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.685 0.626 17518
8172 1 15 . 1 1 42 42 ILE C C 461 174.959 174.959 176.247 -1.288 17518
8173 1 15 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.322 -4.356 17518
8174 1 15 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.026 2.719 17518
8175 1 15 . 1 1 42 42 ILE H H 461 6.466 6.466 7.766 -1.300 17518
8176 1 15 . 1 1 43 43 SER N N 462 121.292 121.292 111.267 10.025 17518
8177 1 15 . 1 1 43 43 SER HA H 462 4.297 4.297 4.488 -0.191 17518
8178 1 15 . 1 1 43 43 SER C C 462 175.624 175.624 173.668 1.956 17518
8179 1 15 . 1 1 43 43 SER CA C 462 60.112 60.112 58.301 1.811 17518
8180 1 15 . 1 1 43 43 SER CB C 462 63.116 63.116 63.049 0.067 17518
8181 1 15 . 1 1 43 43 SER H H 462 8.584 8.584 7.675 0.909 17518
8182 1 15 . 1 1 44 44 GLY N N 463 111.896 111.896 107.238 4.658 17518
8183 1 15 . 1 1 44 44 GLY C C 463 173.823 173.823 173.264 0.559 17518
8184 1 15 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.426 -0.547 17518
8185 1 15 . 1 1 44 44 GLY H H 463 8.623 8.623 7.945 0.678 17518
8186 1 15 . 1 1 45 45 TYR N N 464 116.379 116.379 119.860 -3.481 17518
8187 1 15 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.709 0.989 17518
8188 1 15 . 1 1 45 45 TYR C C 464 175.693 175.693 173.246 2.447 17518
8189 1 15 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.459 0.153 17518
8190 1 15 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.480 -0.556 17518
8191 1 15 . 1 1 45 45 TYR H H 464 7.803 7.803 8.083 -0.280 17518
8192 1 15 . 1 1 46 46 ALA N N 465 126.206 126.206 119.911 6.295 17518
8193 1 15 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.377 -0.040 17518
8194 1 15 . 1 1 46 46 ALA C C 465 176.129 176.129 175.707 0.422 17518
8195 1 15 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.819 0.637 17518
8196 1 15 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.109 2.237 17518
8197 1 15 . 1 1 46 46 ALA H H 465 9.910 9.910 9.107 0.803 17518
8198 1 15 . 1 1 47 47 LYS N N 466 120.226 120.226 120.555 -0.329 17518
8199 1 15 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.324 0.348 17518
8200 1 15 . 1 1 47 47 LYS C C 466 173.880 173.880 174.784 -0.904 17518
8201 1 15 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.188 0.218 17518
8202 1 15 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.533 0.627 17518
8203 1 15 . 1 1 47 47 LYS H H 466 9.373 9.373 8.326 1.047 17518
8204 1 15 . 1 1 48 48 ILE N N 467 120.505 120.505 120.961 -0.456 17518
8205 1 15 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.650 -0.247 17518
8206 1 15 . 1 1 48 48 ILE C C 467 171.247 171.247 173.225 -1.978 17518
8207 1 15 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.477 -0.095 17518
8208 1 15 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.744 -0.210 17518
8209 1 15 . 1 1 48 48 ILE H H 467 8.085 8.085 8.720 -0.635 17518
8210 1 15 . 1 1 49 49 THR N N 468 122.247 122.247 125.045 -2.798 17518
8211 1 15 . 1 1 49 49 THR HA H 468 5.301 5.301 5.395 -0.094 17518
8212 1 15 . 1 1 49 49 THR C C 468 173.694 173.694 173.570 0.124 17518
8213 1 15 . 1 1 49 49 THR CA C 468 61.871 61.871 60.936 0.935 17518
8214 1 15 . 1 1 49 49 THR CB C 468 70.649 70.649 70.138 0.511 17518
8215 1 15 . 1 1 49 49 THR H H 468 7.954 7.954 8.213 -0.259 17518
8216 1 15 . 1 1 50 50 VAL N N 469 126.076 126.076 124.269 1.807 17518
8217 1 15 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.110 0.001 17518
8218 1 15 . 1 1 50 50 VAL C C 469 173.826 173.826 173.999 -0.173 17518
8219 1 15 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.311 -0.112 17518
8220 1 15 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.324 -0.275 17518
8221 1 15 . 1 1 50 50 VAL H H 469 9.242 9.242 9.041 0.201 17518
8222 1 15 . 1 1 51 51 ASP N N 470 126.346 126.346 125.629 0.717 17518
8223 1 15 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.736 0.177 17518
8224 1 15 . 1 1 51 51 ASP C C 470 177.013 177.013 176.282 0.731 17518
8225 1 15 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.103 -1.089 17518
8226 1 15 . 1 1 51 51 ASP CB C 470 41.919 41.919 41.953 -0.034 17518
8227 1 15 . 1 1 51 51 ASP H H 470 8.476 8.476 8.568 -0.092 17518
8228 1 15 . 1 1 52 52 ILE N N 471 118.935 118.935 117.092 1.843 17518
8229 1 15 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.611 -0.073 17518
8230 1 15 . 1 1 52 52 ILE C C 471 176.991 176.991 176.079 0.912 17518
8231 1 15 . 1 1 52 52 ILE CA C 471 59.992 59.992 59.761 0.231 17518
8232 1 15 . 1 1 52 52 ILE CB C 471 38.002 38.002 39.202 -1.200 17518
8233 1 15 . 1 1 52 52 ILE H H 471 8.728 8.728 8.257 0.471 17518
8234 1 15 . 1 1 53 53 GLY N N 472 114.498 114.498 110.479 4.019 17518
8235 1 15 . 1 1 53 53 GLY C C 472 174.971 174.971 174.458 0.513 17518
8236 1 15 . 1 1 53 53 GLY CA C 472 47.668 47.668 47.052 0.616 17518
8237 1 15 . 1 1 53 53 GLY H H 472 9.078 9.078 9.102 -0.024 17518
8238 1 15 . 1 1 54 54 SER N N 473 120.546 120.546 116.195 4.351 17518
8239 1 15 . 1 1 54 54 SER HA H 473 4.426 4.426 4.332 0.094 17518
8240 1 15 . 1 1 54 54 SER C C 473 174.975 174.975 172.931 2.044 17518
8241 1 15 . 1 1 54 54 SER CA C 473 58.417 58.417 58.738 -0.321 17518
8242 1 15 . 1 1 54 54 SER CB C 473 63.632 63.632 64.021 -0.389 17518
8243 1 15 . 1 1 54 54 SER H H 473 8.808 8.808 8.310 0.498 17518
8244 1 15 . 1 1 55 55 ALA N N 474 125.402 125.402 124.793 0.609 17518
8245 1 15 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.764 -0.398 17518
8246 1 15 . 1 1 55 55 ALA C C 474 176.116 176.116 176.621 -0.505 17518
8247 1 15 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.086 1.286 17518
8248 1 15 . 1 1 55 55 ALA CB C 474 20.315 20.315 21.077 -0.762 17518
8249 1 15 . 1 1 55 55 ALA H H 474 7.738 7.738 8.160 -0.422 17518
8250 1 15 . 1 1 56 56 SER N N 475 110.149 110.149 117.097 -6.948 17518
8251 1 15 . 1 1 56 56 SER HA H 475 4.539 4.539 4.315 0.224 17518
8252 1 15 . 1 1 56 56 SER C C 475 173.662 173.662 174.267 -0.605 17518
8253 1 15 . 1 1 56 56 SER CA C 475 58.121 58.121 59.696 -1.575 17518
8254 1 15 . 1 1 56 56 SER CB C 475 65.000 65.000 63.620 1.380 17518
8255 1 15 . 1 1 56 56 SER H H 475 8.756 8.756 8.758 -0.002 17518
8256 1 15 . 1 1 57 57 GLN N N 476 117.023 117.023 117.020 0.003 17518
8257 1 15 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.860 0.198 17518
8258 1 15 . 1 1 57 57 GLN C C 476 173.042 173.042 173.105 -0.063 17518
8259 1 15 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.074 -0.850 17518
8260 1 15 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.722 -0.113 17518
8261 1 15 . 1 1 57 57 GLN H H 476 7.139 7.139 7.318 -0.179 17518
8262 1 15 . 1 1 58 58 LEU N N 477 121.156 121.156 121.813 -0.657 17518
8263 1 15 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.100 -0.354 17518
8264 1 15 . 1 1 58 58 LEU C C 477 173.922 173.922 174.355 -0.433 17518
8265 1 15 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.577 -1.069 17518
8266 1 15 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.530 0.750 17518
8267 1 15 . 1 1 58 58 LEU H H 477 9.149 9.149 9.309 -0.160 17518
8268 1 15 . 1 1 59 59 GLU N N 478 126.375 126.375 126.855 -0.480 17518
8269 1 15 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.492 -0.136 17518
8270 1 15 . 1 1 59 59 GLU C C 478 175.481 175.481 175.282 0.199 17518
8271 1 15 . 1 1 59 59 GLU CA C 478 54.597 54.597 55.346 -0.749 17518
8272 1 15 . 1 1 59 59 GLU CB C 478 32.759 32.759 32.844 -0.085 17518
8273 1 15 . 1 1 59 59 GLU H H 478 8.558 8.558 9.090 -0.532 17518
8274 1 15 . 1 1 60 60 ALA N N 479 124.321 124.321 127.942 -3.621 17518
8275 1 15 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.420 0.372 17518
8276 1 15 . 1 1 60 60 ALA C C 479 174.955 174.955 175.320 -0.365 17518
8277 1 15 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.923 0.218 17518
8278 1 15 . 1 1 60 60 ALA CB C 479 25.094 25.094 24.015 1.079 17518
8279 1 15 . 1 1 60 60 ALA H H 479 9.614 9.614 9.486 0.128 17518
8280 1 15 . 1 1 61 61 ALA N N 480 120.954 120.954 121.442 -0.488 17518
8281 1 15 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.058 -0.264 17518
8282 1 15 . 1 1 61 61 ALA C C 480 174.782 174.782 175.145 -0.363 17518
8283 1 15 . 1 1 61 61 ALA CA C 480 51.257 51.257 50.369 0.888 17518
8284 1 15 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.673 0.541 17518
8285 1 15 . 1 1 61 61 ALA H H 480 9.346 9.346 9.212 0.134 17518
8286 1 15 . 1 1 62 62 PHE N N 481 117.021 117.021 120.051 -3.030 17518
8287 1 15 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.892 0.992 17518
8288 1 15 . 1 1 62 62 PHE C C 481 175.044 175.044 173.271 1.773 17518
8289 1 15 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.096 1.492 17518
8290 1 15 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.577 0.686 17518
8291 1 15 . 1 1 62 62 PHE H H 481 8.351 8.351 8.836 -0.485 17518
8292 1 15 . 1 1 63 63 ASN N N 482 116.362 116.362 122.319 -5.957 17518
8293 1 15 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.447 0.661 17518
8294 1 15 . 1 1 63 63 ASN C C 482 172.088 172.088 174.450 -2.362 17518
8295 1 15 . 1 1 63 63 ASN CA C 482 53.710 53.710 51.687 2.023 17518
8296 1 15 . 1 1 63 63 ASN CB C 482 41.348 41.348 40.778 0.570 17518
8297 1 15 . 1 1 63 63 ASN H H 482 9.077 9.077 8.376 0.701 17518
8298 1 15 . 1 1 64 64 ASP N N 483 118.002 118.002 119.511 -1.509 17518
8299 1 15 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.094 0.090 17518
8300 1 15 . 1 1 64 64 ASP C C 483 177.271 177.271 177.261 0.010 17518
8301 1 15 . 1 1 64 64 ASP CA C 483 52.301 52.301 54.302 -2.001 17518
8302 1 15 . 1 1 64 64 ASP CB C 483 40.887 40.887 40.052 0.835 17518
8303 1 15 . 1 1 64 64 ASP H H 483 7.482 7.482 7.995 -0.513 17518
8304 1 15 . 1 1 65 65 GLY N N 484 110.602 110.602 107.780 2.822 17518
8305 1 15 . 1 1 65 65 GLY C C 484 173.156 173.156 173.856 -0.700 17518
8306 1 15 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.057 0.558 17518
8307 1 15 . 1 1 65 65 GLY H H 484 8.696 8.696 7.389 1.307 17518
8308 1 15 . 1 1 66 66 ASN N N 485 120.867 120.867 119.229 1.638 17518
8309 1 15 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.580 0.124 17518
8310 1 15 . 1 1 66 66 ASN C C 485 174.442 174.442 174.705 -0.263 17518
8311 1 15 . 1 1 66 66 ASN CA C 485 52.311 52.311 54.625 -2.314 17518
8312 1 15 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.126 0.365 17518
8313 1 15 . 1 1 66 66 ASN H H 485 8.371 8.371 8.365 0.006 17518
8314 1 15 . 1 1 67 67 ASN N N 486 113.518 113.518 115.067 -1.549 17518
8315 1 15 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.835 -0.657 17518
8316 1 15 . 1 1 67 67 ASN C C 486 173.845 173.845 173.596 0.249 17518
8317 1 15 . 1 1 67 67 ASN CA C 486 54.486 54.486 52.888 1.598 17518
8318 1 15 . 1 1 67 67 ASN CB C 486 38.267 38.267 40.782 -2.515 17518
8319 1 15 . 1 1 67 67 ASN H H 486 8.700 8.700 8.265 0.435 17518
8320 1 15 . 1 1 68 68 ASN N N 487 118.464 118.464 120.027 -1.563 17518
8321 1 15 . 1 1 68 68 ASN HA H 487 5.058 5.058 5.079 -0.021 17518
8322 1 15 . 1 1 68 68 ASN C C 487 173.449 173.449 173.336 0.113 17518
8323 1 15 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.737 0.531 17518
8324 1 15 . 1 1 68 68 ASN CB C 487 38.813 38.813 40.261 -1.448 17518
8325 1 15 . 1 1 68 68 ASN H H 487 7.975 7.975 8.335 -0.360 17518
8326 1 15 . 1 1 69 69 TRP N N 488 120.817 120.817 122.379 -1.562 17518
8327 1 15 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.917 -0.095 17518
8328 1 15 . 1 1 69 69 TRP C C 488 176.268 176.268 175.665 0.603 17518
8329 1 15 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.841 1.337 17518
8330 1 15 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.826 0.506 17518
8331 1 15 . 1 1 69 69 TRP H H 488 8.771 8.771 8.664 0.107 17518
8332 1 15 . 1 1 70 70 ASP N N 489 122.179 122.179 118.298 3.881 17518
8333 1 15 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.088 0.108 17518
8334 1 15 . 1 1 70 70 ASP C C 489 175.441 175.441 174.381 1.060 17518
8335 1 15 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.758 -1.413 17518
8336 1 15 . 1 1 70 70 ASP CB C 489 41.968 41.968 42.916 -0.948 17518
8337 1 15 . 1 1 70 70 ASP H H 489 9.795 9.795 8.985 0.810 17518
8338 1 15 . 1 1 71 71 SER N N 490 117.314 117.314 118.242 -0.928 17518
8339 1 15 . 1 1 71 71 SER HA H 490 5.084 5.084 3.758 1.326 17518
8340 1 15 . 1 1 71 71 SER C C 490 175.277 175.277 174.493 0.784 17518
8341 1 15 . 1 1 71 71 SER CA C 490 56.099 56.099 55.797 0.302 17518
8342 1 15 . 1 1 71 71 SER CB C 490 66.550 66.550 66.693 -0.143 17518
8343 1 15 . 1 1 71 71 SER H H 490 9.238 9.238 7.876 1.362 17518
8344 1 15 . 1 1 72 72 ASN N N 491 122.911 122.911 119.349 3.562 17518
8345 1 15 . 1 1 72 72 ASN HA H 491 4.367 4.367 4.604 -0.237 17518
8346 1 15 . 1 1 72 72 ASN C C 491 176.857 176.857 175.570 1.287 17518
8347 1 15 . 1 1 72 72 ASN CA C 491 53.192 53.192 55.783 -2.591 17518
8348 1 15 . 1 1 72 72 ASN CB C 491 35.574 35.574 38.541 -2.966 17518
8349 1 15 . 1 1 72 72 ASN H H 491 8.536 8.536 8.212 0.324 17518
8350 1 15 . 1 1 73 73 ASN N N 492 116.146 116.146 111.121 5.025 17518
8351 1 15 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.679 -0.294 17518
8352 1 15 . 1 1 73 73 ASN C C 492 176.335 176.335 174.048 2.287 17518
8353 1 15 . 1 1 73 73 ASN CA C 492 54.488 54.488 53.937 0.551 17518
8354 1 15 . 1 1 73 73 ASN CB C 492 37.331 37.331 38.521 -1.190 17518
8355 1 15 . 1 1 73 73 ASN H H 492 9.086 9.086 8.201 0.885 17518
8356 1 15 . 1 1 74 74 THR N N 493 110.420 110.420 110.787 -0.367 17518
8357 1 15 . 1 1 74 74 THR HA H 493 3.779 3.779 4.309 -0.530 17518
8358 1 15 . 1 1 74 74 THR C C 493 173.194 173.194 172.952 0.242 17518
8359 1 15 . 1 1 74 74 THR CA C 493 65.027 65.027 63.106 1.921 17518
8360 1 15 . 1 1 74 74 THR CB C 493 69.730 69.730 68.336 1.394 17518
8361 1 15 . 1 1 74 74 THR H H 493 7.782 7.782 8.051 -0.269 17518
8362 1 15 . 1 1 75 75 LYS N N 494 121.968 121.968 119.567 2.401 17518
8363 1 15 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.353 -0.286 17518
8364 1 15 . 1 1 75 75 LYS C C 494 177.470 177.470 174.820 2.650 17518
8365 1 15 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.700 1.309 17518
8366 1 15 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.158 -2.572 17518
8367 1 15 . 1 1 75 75 LYS H H 494 7.652 7.652 8.038 -0.386 17518
8368 1 15 . 1 1 76 76 ASN N N 495 108.525 108.525 113.760 -5.235 17518
8369 1 15 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.331 -0.401 17518
8370 1 15 . 1 1 76 76 ASN C C 495 172.085 172.085 173.317 -1.232 17518
8371 1 15 . 1 1 76 76 ASN CA C 495 54.413 54.413 52.731 1.682 17518
8372 1 15 . 1 1 76 76 ASN CB C 495 39.048 39.048 38.673 0.375 17518
8373 1 15 . 1 1 76 76 ASN H H 495 8.197 8.197 7.655 0.542 17518
8374 1 15 . 1 1 77 77 TYR N N 496 118.076 118.076 116.924 1.152 17518
8375 1 15 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.702 0.091 17518
8376 1 15 . 1 1 77 77 TYR C C 496 175.074 175.074 174.974 0.100 17518
8377 1 15 . 1 1 77 77 TYR CA C 496 57.671 57.671 56.353 1.317 17518
8378 1 15 . 1 1 77 77 TYR CB C 496 41.785 41.785 41.071 0.714 17518
8379 1 15 . 1 1 77 77 TYR H H 496 9.133 9.133 8.690 0.443 17518
8380 1 15 . 1 1 78 78 SER N N 497 116.400 116.400 115.638 0.762 17518
8381 1 15 . 1 1 78 78 SER HA H 497 5.345 5.345 4.968 0.377 17518
8382 1 15 . 1 1 78 78 SER C C 497 173.130 173.130 172.765 0.365 17518
8383 1 15 . 1 1 78 78 SER CA C 497 57.191 57.191 56.025 1.166 17518
8384 1 15 . 1 1 78 78 SER CB C 497 64.293 64.293 64.455 -0.162 17518
8385 1 15 . 1 1 78 78 SER H H 497 8.204 8.204 8.119 0.085 17518
8386 1 15 . 1 1 79 79 PHE N N 498 123.023 123.023 125.174 -2.151 17518
8387 1 15 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.915 -0.105 17518
8388 1 15 . 1 1 79 79 PHE C C 498 175.275 175.275 174.619 0.656 17518
8389 1 15 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.686 0.321 17518
8390 1 15 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.450 -0.461 17518
8391 1 15 . 1 1 79 79 PHE H H 498 9.054 9.054 9.373 -0.319 17518
8392 1 15 . 1 1 80 80 SER N N 499 117.002 117.002 117.361 -0.359 17518
8393 1 15 . 1 1 80 80 SER HA H 499 4.997 4.997 4.852 0.145 17518
8394 1 15 . 1 1 80 80 SER C C 499 173.356 173.356 175.155 -1.799 17518
8395 1 15 . 1 1 80 80 SER CA C 499 57.357 57.357 57.385 -0.028 17518
8396 1 15 . 1 1 80 80 SER CB C 499 65.301 65.301 64.563 0.738 17518
8397 1 15 . 1 1 80 80 SER H H 499 8.804 8.804 8.639 0.165 17518
8398 1 15 . 1 1 81 81 THR N N 500 112.529 112.529 114.854 -2.325 17518
8399 1 15 . 1 1 81 81 THR HA H 500 3.820 3.820 3.942 -0.122 17518
8400 1 15 . 1 1 81 81 THR C C 500 174.378 174.378 175.494 -1.116 17518
8401 1 15 . 1 1 81 81 THR CA C 500 64.220 64.220 63.631 0.589 17518
8402 1 15 . 1 1 81 81 THR CB C 500 69.475 69.475 69.070 0.405 17518
8403 1 15 . 1 1 81 81 THR H H 500 7.559 7.559 8.143 -0.584 17518
8404 1 15 . 1 1 82 82 GLY N N 501 112.234 112.234 113.863 -1.629 17518
8405 1 15 . 1 1 82 82 GLY C C 501 174.342 174.342 172.370 1.972 17518
8406 1 15 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.728 -0.933 17518
8407 1 15 . 1 1 82 82 GLY H H 501 8.409 8.409 8.490 -0.081 17518
8408 1 15 . 1 1 83 83 THR N N 502 120.411 120.411 118.449 1.962 17518
8409 1 15 . 1 1 83 83 THR HA H 502 5.487 5.487 5.238 0.249 17518
8410 1 15 . 1 1 83 83 THR C C 502 174.798 174.798 173.313 1.485 17518
8411 1 15 . 1 1 83 83 THR CA C 502 62.497 62.497 60.645 1.852 17518
8412 1 15 . 1 1 83 83 THR CB C 502 69.978 69.978 71.440 -1.462 17518
8413 1 15 . 1 1 83 83 THR H H 502 8.729 8.729 8.190 0.539 17518
8414 1 15 . 1 1 84 84 SER N N 503 123.023 123.023 120.630 2.393 17518
8415 1 15 . 1 1 84 84 SER HA H 503 5.409 5.409 5.265 0.144 17518
8416 1 15 . 1 1 84 84 SER C C 503 171.976 171.976 173.064 -1.088 17518
8417 1 15 . 1 1 84 84 SER CA C 503 58.675 58.675 56.844 1.831 17518
8418 1 15 . 1 1 84 84 SER CB C 503 67.607 67.607 66.470 1.137 17518
8419 1 15 . 1 1 84 84 SER H H 503 9.121 9.121 9.121 0.000 17518
8420 1 15 . 1 1 85 85 THR N N 504 118.388 118.388 119.177 -0.789 17518
8421 1 15 . 1 1 85 85 THR HA H 504 5.241 5.241 5.184 0.057 17518
8422 1 15 . 1 1 85 85 THR C C 504 172.930 172.930 172.882 0.048 17518
8423 1 15 . 1 1 85 85 THR CA C 504 62.672 62.672 62.237 0.435 17518
8424 1 15 . 1 1 85 85 THR CB C 504 70.641 70.641 71.463 -0.822 17518
8425 1 15 . 1 1 85 85 THR H H 504 9.445 9.445 8.887 0.558 17518
8426 1 15 . 1 1 86 86 TYR N N 505 129.195 129.195 128.595 0.600 17518
8427 1 15 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.453 -0.344 17518
8428 1 15 . 1 1 86 86 TYR C C 505 173.063 173.063 173.818 -0.755 17518
8429 1 15 . 1 1 86 86 TYR CA C 505 57.280 57.280 56.234 1.046 17518
8430 1 15 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.236 -0.576 17518
8431 1 15 . 1 1 86 86 TYR H H 505 9.858 9.858 9.637 0.221 17518
8432 1 15 . 1 1 87 87 THR N N 506 124.861 124.861 123.544 1.317 17518
8433 1 15 . 1 1 87 87 THR HA H 506 4.288 4.288 4.994 -0.706 17518
8434 1 15 . 1 1 87 87 THR C C 506 171.472 171.472 171.954 -0.482 17518
8435 1 15 . 1 1 87 87 THR CA C 506 58.917 58.917 59.218 -0.301 17518
8436 1 15 . 1 1 87 87 THR CB C 506 70.055 70.055 70.912 -0.857 17518
8437 1 15 . 1 1 87 87 THR H H 506 7.906 7.906 8.785 -0.879 17518
8438 1 15 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.556 -0.550 17518
8439 1 15 . 1 1 88 88 PRO C C 507 176.975 176.975 176.478 0.497 17518
8440 1 15 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.606 0.392 17518
8441 1 15 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.514 -0.140 17518
8442 1 15 . 1 1 89 89 GLY N N 508 108.823 108.823 110.730 -1.907 17518
8443 1 15 . 1 1 89 89 GLY C C 508 173.757 173.757 174.288 -0.531 17518
8444 1 15 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.791 -0.713 17518
8445 1 15 . 1 1 89 89 GLY H H 508 8.294 8.294 8.986 -0.692 17518
8446 1 15 . 1 1 90 90 ASN N N 509 117.850 117.850 113.956 3.894 17518
8447 1 15 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.655 0.068 17518
8448 1 15 . 1 1 90 90 ASN C C 509 176.078 176.078 174.063 2.015 17518
8449 1 15 . 1 1 90 90 ASN CA C 509 52.906 52.906 52.605 0.301 17518
8450 1 15 . 1 1 90 90 ASN CB C 509 39.922 39.922 39.052 0.870 17518
8451 1 15 . 1 1 90 90 ASN H H 509 8.434 8.434 7.683 0.751 17518
8452 1 15 . 1 1 91 91 SER N N 510 114.973 114.973 115.410 -0.437 17518
8453 1 15 . 1 1 91 91 SER HA H 510 4.133 4.133 4.226 -0.093 17518
8454 1 15 . 1 1 91 91 SER C C 510 174.773 174.773 175.884 -1.111 17518
8455 1 15 . 1 1 91 91 SER CA C 510 58.662 58.662 61.273 -2.611 17518
8456 1 15 . 1 1 91 91 SER CB C 510 62.209 62.209 63.339 -1.130 17518
8457 1 15 . 1 1 91 91 SER H H 510 8.819 8.819 8.512 0.307 17518
8458 1 15 . 1 1 92 92 GLY N N 511 108.552 108.552 107.793 0.759 17518
8459 1 15 . 1 1 92 92 GLY C C 511 174.613 174.613 174.696 -0.083 17518
8460 1 15 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.484 -0.221 17518
8461 1 15 . 1 1 92 92 GLY H H 511 8.472 8.472 8.389 0.083 17518
8462 1 15 . 1 1 93 93 ASN N N 512 119.035 119.035 119.010 0.025 17518
8463 1 15 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.752 0.018 17518
8464 1 15 . 1 1 93 93 ASN C C 512 174.627 174.627 175.116 -0.489 17518
8465 1 15 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.729 0.104 17518
8466 1 15 . 1 1 93 93 ASN CB C 512 39.771 39.771 39.983 -0.212 17518
8467 1 15 . 1 1 93 93 ASN H H 512 7.985 7.985 8.047 -0.062 17518
8468 1 15 . 1 1 94 94 ALA N N 513 123.854 123.854 122.857 0.997 17518
8469 1 15 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.623 -0.019 17518
8470 1 15 . 1 1 94 94 ALA C C 513 178.511 178.511 175.827 2.684 17518
8471 1 15 . 1 1 94 94 ALA CA C 513 52.699 52.699 51.591 1.108 17518
8472 1 15 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.876 -0.468 17518
8473 1 15 . 1 1 94 94 ALA H H 513 8.442 8.442 8.243 0.199 17518
8474 1 15 . 1 1 95 95 GLY N N 514 108.880 108.880 106.530 2.350 17518
8475 1 15 . 1 1 95 95 GLY C C 514 173.104 173.104 174.037 -0.933 17518
8476 1 15 . 1 1 95 95 GLY CA C 514 44.895 44.895 44.253 0.642 17518
8477 1 15 . 1 1 95 95 GLY H H 514 8.353 8.353 8.267 0.086 17518
8478 1 15 . 1 1 96 96 THR N N 515 110.444 110.444 119.220 -8.776 17518
8479 1 15 . 1 1 96 96 THR HA H 515 4.504 4.504 4.536 -0.032 17518
8480 1 15 . 1 1 96 96 THR C C 515 173.214 173.214 173.575 -0.361 17518
8481 1 15 . 1 1 96 96 THR CA C 515 60.947 60.947 60.772 0.175 17518
8482 1 15 . 1 1 96 96 THR CB C 515 72.111 72.111 70.241 1.870 17518
8483 1 15 . 1 1 96 96 THR H H 515 7.839 7.839 8.496 -0.657 17518
8484 1 15 . 1 1 97 97 ILE N N 516 126.770 126.770 124.592 2.178 17518
8485 1 15 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.155 -0.184 17518
8486 1 15 . 1 1 97 97 ILE C C 516 176.061 176.061 175.960 0.101 17518
8487 1 15 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.576 1.469 17518
8488 1 15 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.608 -0.866 17518
8489 1 15 . 1 1 97 97 ILE H H 516 8.733 8.733 8.200 0.533 17518
8490 1 15 . 1 1 98 98 THR N N 517 121.307 121.307 118.894 2.413 17518
8491 1 15 . 1 1 98 98 THR HA H 517 4.693 4.693 4.748 -0.055 17518
8492 1 15 . 1 1 98 98 THR C C 517 173.622 173.622 173.605 0.017 17518
8493 1 15 . 1 1 98 98 THR CA C 517 59.692 59.692 59.757 -0.065 17518
8494 1 15 . 1 1 98 98 THR CB C 517 71.290 71.290 71.438 -0.148 17518
8495 1 15 . 1 1 98 98 THR H H 517 9.270 9.270 9.024 0.246 17518
8496 1 15 . 1 1 99 99 SER N N 518 118.544 118.544 117.063 1.481 17518
8497 1 15 . 1 1 99 99 SER HA H 518 4.548 4.548 4.694 -0.146 17518
8498 1 15 . 1 1 99 99 SER C C 518 175.405 175.405 174.017 1.388 17518
8499 1 15 . 1 1 99 99 SER CA C 518 59.662 59.662 57.584 2.079 17518
8500 1 15 . 1 1 99 99 SER CB C 518 63.836 63.836 62.412 1.424 17518
8501 1 15 . 1 1 99 99 SER H H 518 8.667 8.667 8.545 0.122 17518
8502 1 15 . 1 1 100 100 GLY N N 519 113.982 113.982 110.830 3.152 17518
8503 1 15 . 1 1 100 100 GLY C C 519 171.714 171.714 172.772 -1.058 17518
8504 1 15 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.565 -0.492 17518
8505 1 15 . 1 1 100 100 GLY H H 519 8.443 8.443 7.610 0.833 17518
8506 1 15 . 1 1 101 101 ALA N N 520 120.741 120.741 125.716 -4.975 17518
8507 1 15 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.620 -1.013 17518
8508 1 15 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.909 -1.446 17518
8509 1 15 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.343 -1.212 17518
8510 1 15 . 1 1 101 101 ALA H H 520 7.908 7.908 8.204 -0.296 17518
8511 1 15 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.384 -0.342 17518
8512 1 15 . 1 1 102 102 PRO C C 521 175.467 175.467 176.334 -0.867 17518
8513 1 15 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.767 -0.069 17518
8514 1 15 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.327 -0.463 17518
8515 1 15 . 1 1 103 103 ALA N N 522 122.930 122.930 125.657 -2.727 17518
8516 1 15 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.444 -0.331 17518
8517 1 15 . 1 1 103 103 ALA C C 522 177.009 177.009 177.401 -0.392 17518
8518 1 15 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.679 0.277 17518
8519 1 15 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.141 1.548 17518
8520 1 15 . 1 1 103 103 ALA H H 522 7.993 7.993 8.427 -0.434 17518
8521 1 16 . 1 1 2 2 GLY C C 421 174.167 174.167 174.379 -0.212 17518
8522 1 16 . 1 1 2 2 GLY CA C 421 45.259 45.259 44.940 0.319 17518
8523 1 16 . 1 1 3 3 THR N N 422 113.380 113.380 115.629 -2.249 17518
8524 1 16 . 1 1 3 3 THR HA H 422 4.348 4.348 4.044 0.304 17518
8525 1 16 . 1 1 3 3 THR C C 422 174.773 174.773 174.156 0.617 17518
8526 1 16 . 1 1 3 3 THR CA C 422 61.357 61.357 63.030 -1.673 17518
8527 1 16 . 1 1 3 3 THR CB C 422 69.791 69.791 69.058 0.733 17518
8528 1 16 . 1 1 3 3 THR H H 422 8.099 8.099 8.077 0.022 17518
8529 1 16 . 1 1 4 4 GLY N N 423 113.124 113.124 113.774 -0.650 17518
8530 1 16 . 1 1 4 4 GLY C C 423 173.909 173.909 172.349 1.560 17518
8531 1 16 . 1 1 4 4 GLY CA C 423 45.058 45.058 45.812 -0.754 17518
8532 1 16 . 1 1 4 4 GLY H H 423 8.770 8.770 8.490 0.280 17518
8533 1 16 . 1 1 5 5 ASN N N 424 121.226 121.226 119.244 1.982 17518
8534 1 16 . 1 1 5 5 ASN HA H 424 4.574 4.574 5.008 -0.434 17518
8535 1 16 . 1 1 5 5 ASN C C 424 174.450 174.450 173.347 1.103 17518
8536 1 16 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.444 0.793 17518
8537 1 16 . 1 1 5 5 ASN CB C 424 38.520 38.520 41.918 -3.398 17518
8538 1 16 . 1 1 5 5 ASN H H 424 8.988 8.988 8.375 0.613 17518
8539 1 16 . 1 1 6 6 LYS N N 425 119.587 119.587 121.080 -1.493 17518
8540 1 16 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.629 0.500 17518
8541 1 16 . 1 1 6 6 LYS C C 425 176.281 176.281 174.645 1.636 17518
8542 1 16 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.373 -0.979 17518
8543 1 16 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.748 -0.300 17518
8544 1 16 . 1 1 6 6 LYS H H 425 8.354 8.354 8.432 -0.078 17518
8545 1 16 . 1 1 7 7 VAL N N 426 124.203 124.203 124.159 0.044 17518
8546 1 16 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.842 -0.380 17518
8547 1 16 . 1 1 7 7 VAL C C 426 174.564 174.564 174.930 -0.366 17518
8548 1 16 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.892 0.477 17518
8549 1 16 . 1 1 7 7 VAL CB C 426 34.432 34.432 34.141 0.291 17518
8550 1 16 . 1 1 7 7 VAL H H 426 8.774 8.774 8.934 -0.160 17518
8551 1 16 . 1 1 8 8 THR N N 427 125.363 125.363 124.258 1.105 17518
8552 1 16 . 1 1 8 8 THR HA H 427 5.326 5.326 5.316 0.010 17518
8553 1 16 . 1 1 8 8 THR C C 427 173.108 173.108 172.984 0.124 17518
8554 1 16 . 1 1 8 8 THR CA C 427 61.752 61.752 61.739 0.014 17518
8555 1 16 . 1 1 8 8 THR CB C 427 69.860 69.860 70.415 -0.555 17518
8556 1 16 . 1 1 8 8 THR H H 427 8.851 8.851 9.099 -0.248 17518
8557 1 16 . 1 1 9 9 ILE N N 428 127.015 127.015 127.311 -0.296 17518
8558 1 16 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.741 -0.085 17518
8559 1 16 . 1 1 9 9 ILE C C 428 175.404 175.404 174.257 1.147 17518
8560 1 16 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.236 -0.356 17518
8561 1 16 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.579 1.612 17518
8562 1 16 . 1 1 9 9 ILE H H 428 8.628 8.628 9.200 -0.572 17518
8563 1 16 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.341 -0.172 17518
8564 1 16 . 1 1 10 10 TYR C C 429 174.161 174.161 174.807 -0.646 17518
8565 1 16 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.348 2.903 17518
8566 1 16 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.460 0.923 17518
8567 1 16 . 1 1 10 10 TYR H H 429 9.069 9.069 9.209 -0.140 17518
8568 1 16 . 1 1 11 11 TYR N N 430 125.905 125.905 125.767 0.138 17518
8569 1 16 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.678 -0.688 17518
8570 1 16 . 1 1 11 11 TYR C C 430 173.359 173.359 174.371 -1.012 17518
8571 1 16 . 1 1 11 11 TYR CA C 430 56.630 56.630 54.260 2.370 17518
8572 1 16 . 1 1 11 11 TYR CB C 430 42.942 42.942 41.691 1.252 17518
8573 1 16 . 1 1 11 11 TYR H H 430 9.500 9.500 8.715 0.785 17518
8574 1 16 . 1 1 12 12 LYS N N 431 131.688 131.688 125.597 6.091 17518
8575 1 16 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.155 1.207 17518
8576 1 16 . 1 1 12 12 LYS C C 431 172.929 172.929 174.538 -1.609 17518
8577 1 16 . 1 1 12 12 LYS CA C 431 55.867 55.867 54.975 0.892 17518
8578 1 16 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.382 0.789 17518
8579 1 16 . 1 1 12 12 LYS H H 431 8.410 8.410 8.200 0.210 17518
8580 1 16 . 1 1 13 13 LYS N N 432 125.124 125.124 126.154 -1.030 17518
8581 1 16 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.729 0.143 17518
8582 1 16 . 1 1 13 13 LYS C C 432 180.107 180.107 176.091 4.016 17518
8583 1 16 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.355 -3.847 17518
8584 1 16 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.344 -0.690 17518
8585 1 16 . 1 1 14 14 GLY N N 433 112.761 112.761 112.428 0.333 17518
8586 1 16 . 1 1 14 14 GLY C C 433 174.180 174.180 174.308 -0.128 17518
8587 1 16 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.260 1.082 17518
8588 1 16 . 1 1 14 14 GLY H H 433 7.585 7.585 8.501 -0.916 17518
8589 1 16 . 1 1 15 15 PHE N N 434 121.529 121.529 119.440 2.089 17518
8590 1 16 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.747 -0.056 17518
8591 1 16 . 1 1 15 15 PHE C C 434 175.899 175.899 175.490 0.409 17518
8592 1 16 . 1 1 15 15 PHE CA C 434 57.157 57.157 60.471 -3.314 17518
8593 1 16 . 1 1 15 15 PHE CB C 434 38.472 38.472 41.016 -2.544 17518
8594 1 16 . 1 1 15 15 PHE H H 434 8.454 8.454 8.387 0.067 17518
8595 1 16 . 1 1 16 16 ASN N N 435 117.583 117.583 115.093 2.490 17518
8596 1 16 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.650 -0.251 17518
8597 1 16 . 1 1 16 16 ASN C C 435 176.259 176.259 174.258 2.001 17518
8598 1 16 . 1 1 16 16 ASN CA C 435 56.521 56.521 54.116 2.405 17518
8599 1 16 . 1 1 16 16 ASN CB C 435 39.366 39.366 37.764 1.602 17518
8600 1 16 . 1 1 16 16 ASN H H 435 8.513 8.513 8.538 -0.025 17518
8601 1 16 . 1 1 17 17 SER N N 436 112.889 112.889 115.211 -2.322 17518
8602 1 16 . 1 1 17 17 SER HA H 436 4.798 4.798 4.865 -0.067 17518
8603 1 16 . 1 1 17 17 SER C C 436 171.151 171.151 171.804 -0.653 17518
8604 1 16 . 1 1 17 17 SER CA C 436 53.721 53.721 55.531 -1.810 17518
8605 1 16 . 1 1 17 17 SER CB C 436 63.834 63.834 64.154 -0.320 17518
8606 1 16 . 1 1 17 17 SER H H 436 8.315 8.315 8.246 0.069 17518
8607 1 16 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.646 -0.084 17518
8608 1 16 . 1 1 18 18 PRO C C 437 175.812 175.812 175.760 0.052 17518
8609 1 16 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.182 0.435 17518
8610 1 16 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.665 0.109 17518
8611 1 16 . 1 1 19 19 TYR N N 438 122.060 122.060 119.480 2.580 17518
8612 1 16 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.708 0.122 17518
8613 1 16 . 1 1 19 19 TYR C C 438 174.732 174.732 174.821 -0.089 17518
8614 1 16 . 1 1 19 19 TYR CA C 438 56.729 56.729 57.313 -0.584 17518
8615 1 16 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.110 -0.352 17518
8616 1 16 . 1 1 19 19 TYR H H 438 9.072 9.072 8.754 0.318 17518
8617 1 16 . 1 1 20 20 ILE N N 439 118.018 118.018 120.573 -2.555 17518
8618 1 16 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.845 0.143 17518
8619 1 16 . 1 1 20 20 ILE C C 439 171.341 171.341 174.248 -2.907 17518
8620 1 16 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.306 -0.733 17518
8621 1 16 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.004 0.654 17518
8622 1 16 . 1 1 20 20 ILE H H 439 9.164 9.164 8.554 0.610 17518
8623 1 16 . 1 1 21 21 HIS N N 440 133.346 133.346 131.162 2.184 17518
8624 1 16 . 1 1 21 21 HIS HA H 440 5.375 5.375 5.018 0.357 17518
8625 1 16 . 1 1 21 21 HIS C C 440 174.947 174.947 173.981 0.966 17518
8626 1 16 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.870 -1.069 17518
8627 1 16 . 1 1 21 21 HIS CB C 440 35.001 35.001 31.031 3.970 17518
8628 1 16 . 1 1 21 21 HIS H H 440 8.843 8.843 8.736 0.107 17518
8629 1 16 . 1 1 22 22 TYR N N 441 121.863 121.863 123.486 -1.623 17518
8630 1 16 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.797 0.260 17518
8631 1 16 . 1 1 22 22 TYR C C 441 173.567 173.567 173.184 0.383 17518
8632 1 16 . 1 1 22 22 TYR CA C 441 56.693 56.693 54.984 1.709 17518
8633 1 16 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.978 0.818 17518
8634 1 16 . 1 1 22 22 TYR H H 441 8.231 8.231 7.879 0.352 17518
8635 1 16 . 1 1 23 23 ARG N N 442 116.788 116.788 121.318 -4.530 17518
8636 1 16 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.911 -0.280 17518
8637 1 16 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.453 -0.093 17518
8638 1 16 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.659 -1.345 17518
8639 1 16 . 1 1 23 23 ARG H H 442 8.456 8.456 9.130 -0.674 17518
8640 1 16 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.546 -0.039 17518
8641 1 16 . 1 1 24 24 PRO C C 443 176.258 176.258 176.095 0.163 17518
8642 1 16 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.896 0.348 17518
8643 1 16 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.277 -0.080 17518
8644 1 16 . 1 1 25 25 ALA N N 444 125.666 125.666 126.246 -0.580 17518
8645 1 16 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.950 0.008 17518
8646 1 16 . 1 1 25 25 ALA C C 444 179.221 179.221 177.164 2.057 17518
8647 1 16 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.249 0.931 17518
8648 1 16 . 1 1 25 25 ALA CB C 444 18.420 18.420 17.785 0.635 17518
8649 1 16 . 1 1 25 25 ALA H H 444 8.230 8.230 8.300 -0.070 17518
8650 1 16 . 1 1 26 26 GLY N N 445 112.217 112.217 110.343 1.874 17518
8651 1 16 . 1 1 26 26 GLY C C 445 174.734 174.734 174.466 0.268 17518
8652 1 16 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.606 1.056 17518
8653 1 16 . 1 1 26 26 GLY H H 445 8.591 8.591 7.891 0.700 17518
8654 1 16 . 1 1 27 27 GLY N N 446 109.489 109.489 109.102 0.387 17518
8655 1 16 . 1 1 27 27 GLY C C 446 173.379 173.379 173.248 0.131 17518
8656 1 16 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.066 0.052 17518
8657 1 16 . 1 1 27 27 GLY H H 446 8.380 8.380 8.474 -0.094 17518
8658 1 16 . 1 1 28 28 SER N N 447 117.275 117.275 114.263 3.012 17518
8659 1 16 . 1 1 28 28 SER HA H 447 4.637 4.637 4.687 -0.050 17518
8660 1 16 . 1 1 28 28 SER C C 447 173.759 173.759 173.202 0.557 17518
8661 1 16 . 1 1 28 28 SER CA C 447 57.410 57.410 56.574 0.836 17518
8662 1 16 . 1 1 28 28 SER CB C 447 65.022 65.022 64.645 0.377 17518
8663 1 16 . 1 1 28 28 SER H H 447 8.585 8.585 8.213 0.372 17518
8664 1 16 . 1 1 29 29 TRP N N 448 123.426 123.426 120.205 3.221 17518
8665 1 16 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.644 -0.251 17518
8666 1 16 . 1 1 29 29 TRP C C 448 178.997 178.997 176.852 2.145 17518
8667 1 16 . 1 1 29 29 TRP CA C 448 58.166 58.166 56.418 1.748 17518
8668 1 16 . 1 1 29 29 TRP CB C 448 30.606 30.606 31.005 -0.399 17518
8669 1 16 . 1 1 29 29 TRP H H 448 8.346 8.346 8.461 -0.115 17518
8670 1 16 . 1 1 30 30 THR N N 449 111.168 111.168 111.204 -0.036 17518
8671 1 16 . 1 1 30 30 THR HA H 449 3.978 3.978 4.428 -0.450 17518
8672 1 16 . 1 1 30 30 THR C C 449 174.707 174.707 173.988 0.719 17518
8673 1 16 . 1 1 30 30 THR CA C 449 61.317 61.317 60.518 0.799 17518
8674 1 16 . 1 1 30 30 THR CB C 449 70.526 70.526 70.094 0.433 17518
8675 1 16 . 1 1 30 30 THR H H 449 7.888 7.888 8.070 -0.182 17518
8676 1 16 . 1 1 31 31 ALA N N 450 122.982 122.982 123.191 -0.209 17518
8677 1 16 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.428 -0.029 17518
8678 1 16 . 1 1 31 31 ALA C C 450 178.443 178.443 177.111 1.332 17518
8679 1 16 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.555 0.329 17518
8680 1 16 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.193 -0.132 17518
8681 1 16 . 1 1 31 31 ALA H H 450 8.383 8.383 8.413 -0.030 17518
8682 1 16 . 1 1 32 32 ALA N N 451 129.780 129.780 127.252 2.528 17518
8683 1 16 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.528 -0.670 17518
8684 1 16 . 1 1 32 32 ALA C C 451 175.997 175.997 176.105 -0.108 17518
8685 1 16 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.680 1.131 17518
8686 1 16 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.596 -2.350 17518
8687 1 16 . 1 1 32 32 ALA H H 451 8.778 8.778 7.910 0.868 17518
8688 1 16 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.567 -0.723 17518
8689 1 16 . 1 1 33 33 PRO C C 452 173.297 173.297 177.138 -3.841 17518
8690 1 16 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.574 1.158 17518
8691 1 16 . 1 1 33 33 PRO CB C 452 33.646 33.646 32.401 1.245 17518
8692 1 16 . 1 1 34 34 GLY N N 453 112.150 112.150 113.117 -0.967 17518
8693 1 16 . 1 1 34 34 GLY C C 453 174.011 174.011 174.001 0.010 17518
8694 1 16 . 1 1 34 34 GLY CA C 453 43.995 43.995 46.190 -2.195 17518
8695 1 16 . 1 1 34 34 GLY H H 453 8.685 8.685 8.413 0.272 17518
8696 1 16 . 1 1 35 35 VAL N N 454 123.276 123.276 123.368 -0.092 17518
8697 1 16 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.389 -0.043 17518
8698 1 16 . 1 1 35 35 VAL C C 454 174.782 174.782 175.185 -0.403 17518
8699 1 16 . 1 1 35 35 VAL CA C 454 60.959 60.959 60.264 0.695 17518
8700 1 16 . 1 1 35 35 VAL CB C 454 34.857 34.857 34.800 0.057 17518
8701 1 16 . 1 1 35 35 VAL H H 454 9.287 9.287 8.404 0.883 17518
8702 1 16 . 1 1 36 36 LYS N N 455 128.135 128.135 129.664 -1.529 17518
8703 1 16 . 1 1 36 36 LYS HA H 455 3.061 3.061 3.937 -0.876 17518
8704 1 16 . 1 1 36 36 LYS C C 455 176.438 176.438 176.301 0.137 17518
8705 1 16 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.632 0.591 17518
8706 1 16 . 1 1 36 36 LYS CB C 455 32.619 32.619 31.316 1.303 17518
8707 1 16 . 1 1 36 36 LYS H H 455 8.443 8.443 8.625 -0.182 17518
8708 1 16 . 1 1 37 37 MET N N 456 124.850 124.850 126.388 -1.538 17518
8709 1 16 . 1 1 37 37 MET HA H 456 4.207 4.207 4.114 0.093 17518
8710 1 16 . 1 1 37 37 MET C C 456 175.590 175.590 176.584 -0.994 17518
8711 1 16 . 1 1 37 37 MET CA C 456 56.409 56.409 57.486 -1.077 17518
8712 1 16 . 1 1 37 37 MET CB C 456 34.978 34.978 32.267 2.711 17518
8713 1 16 . 1 1 37 37 MET H H 456 8.121 8.121 8.070 0.051 17518
8714 1 16 . 1 1 38 38 GLN N N 457 121.555 121.555 122.401 -0.846 17518
8715 1 16 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.093 0.300 17518
8716 1 16 . 1 1 38 38 GLN C C 457 175.737 175.737 175.336 0.401 17518
8717 1 16 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.666 -1.883 17518
8718 1 16 . 1 1 38 38 GLN CB C 457 30.307 30.307 29.267 1.040 17518
8719 1 16 . 1 1 38 38 GLN H H 457 8.441 8.441 8.582 -0.141 17518
8720 1 16 . 1 1 39 39 ASP N N 458 121.629 121.629 118.671 2.958 17518
8721 1 16 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.678 0.053 17518
8722 1 16 . 1 1 39 39 ASP C C 458 176.733 176.733 175.157 1.576 17518
8723 1 16 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.218 2.039 17518
8724 1 16 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.993 -0.635 17518
8725 1 16 . 1 1 39 39 ASP H H 458 8.720 8.720 8.439 0.281 17518
8726 1 16 . 1 1 40 40 ALA N N 459 122.646 122.646 125.481 -2.835 17518
8727 1 16 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.614 -0.322 17518
8728 1 16 . 1 1 40 40 ALA C C 459 175.201 175.201 177.725 -2.524 17518
8729 1 16 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.074 0.482 17518
8730 1 16 . 1 1 40 40 ALA CB C 459 21.948 21.948 20.183 1.765 17518
8731 1 16 . 1 1 40 40 ALA H H 459 8.423 8.423 8.698 -0.275 17518
8732 1 16 . 1 1 41 41 GLU N N 460 120.190 120.190 127.330 -7.140 17518
8733 1 16 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.958 0.349 17518
8734 1 16 . 1 1 41 41 GLU C C 460 174.722 174.722 178.190 -3.468 17518
8735 1 16 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.175 -0.656 17518
8736 1 16 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.267 -1.931 17518
8737 1 16 . 1 1 41 41 GLU H H 460 10.341 10.341 8.885 1.456 17518
8738 1 16 . 1 1 42 42 ILE N N 461 119.473 119.473 119.407 0.066 17518
8739 1 16 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.543 0.768 17518
8740 1 16 . 1 1 42 42 ILE C C 461 174.959 174.959 175.963 -1.004 17518
8741 1 16 . 1 1 42 42 ILE CA C 461 58.966 58.966 64.244 -5.278 17518
8742 1 16 . 1 1 42 42 ILE CB C 461 39.745 39.745 38.020 1.725 17518
8743 1 16 . 1 1 42 42 ILE H H 461 6.466 6.466 7.792 -1.326 17518
8744 1 16 . 1 1 43 43 SER N N 462 121.292 121.292 111.920 9.372 17518
8745 1 16 . 1 1 43 43 SER HA H 462 4.297 4.297 4.503 -0.206 17518
8746 1 16 . 1 1 43 43 SER C C 462 175.624 175.624 173.453 2.171 17518
8747 1 16 . 1 1 43 43 SER CA C 462 60.112 60.112 58.301 1.811 17518
8748 1 16 . 1 1 43 43 SER CB C 462 63.116 63.116 62.531 0.585 17518
8749 1 16 . 1 1 43 43 SER H H 462 8.584 8.584 7.581 1.003 17518
8750 1 16 . 1 1 44 44 GLY N N 463 111.896 111.896 107.758 4.138 17518
8751 1 16 . 1 1 44 44 GLY C C 463 173.823 173.823 173.401 0.422 17518
8752 1 16 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.673 -0.794 17518
8753 1 16 . 1 1 44 44 GLY H H 463 8.623 8.623 8.051 0.572 17518
8754 1 16 . 1 1 45 45 TYR N N 464 116.379 116.379 119.873 -3.494 17518
8755 1 16 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.680 1.018 17518
8756 1 16 . 1 1 45 45 TYR C C 464 175.693 175.693 173.361 2.332 17518
8757 1 16 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.703 -0.091 17518
8758 1 16 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.556 -0.632 17518
8759 1 16 . 1 1 45 45 TYR H H 464 7.803 7.803 8.102 -0.299 17518
8760 1 16 . 1 1 46 46 ALA N N 465 126.206 126.206 119.865 6.341 17518
8761 1 16 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.363 -0.026 17518
8762 1 16 . 1 1 46 46 ALA C C 465 176.129 176.129 175.581 0.548 17518
8763 1 16 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.749 0.707 17518
8764 1 16 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.214 2.132 17518
8765 1 16 . 1 1 46 46 ALA H H 465 9.910 9.910 9.094 0.816 17518
8766 1 16 . 1 1 47 47 LYS N N 466 120.226 120.226 119.970 0.256 17518
8767 1 16 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.178 0.494 17518
8768 1 16 . 1 1 47 47 LYS C C 466 173.880 173.880 174.652 -0.772 17518
8769 1 16 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.273 0.133 17518
8770 1 16 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.589 0.571 17518
8771 1 16 . 1 1 47 47 LYS H H 466 9.373 9.373 8.294 1.079 17518
8772 1 16 . 1 1 48 48 ILE N N 467 120.505 120.505 120.691 -0.186 17518
8773 1 16 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.507 -0.104 17518
8774 1 16 . 1 1 48 48 ILE C C 467 171.247 171.247 173.128 -1.881 17518
8775 1 16 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.379 0.003 17518
8776 1 16 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.841 -0.307 17518
8777 1 16 . 1 1 48 48 ILE H H 467 8.085 8.085 8.705 -0.620 17518
8778 1 16 . 1 1 49 49 THR N N 468 122.247 122.247 124.773 -2.526 17518
8779 1 16 . 1 1 49 49 THR HA H 468 5.301 5.301 5.436 -0.135 17518
8780 1 16 . 1 1 49 49 THR C C 468 173.694 173.694 173.822 -0.128 17518
8781 1 16 . 1 1 49 49 THR CA C 468 61.871 61.871 60.585 1.286 17518
8782 1 16 . 1 1 49 49 THR CB C 468 70.649 70.649 69.850 0.799 17518
8783 1 16 . 1 1 49 49 THR H H 468 7.954 7.954 8.193 -0.239 17518
8784 1 16 . 1 1 50 50 VAL N N 469 126.076 126.076 124.790 1.286 17518
8785 1 16 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.117 -0.006 17518
8786 1 16 . 1 1 50 50 VAL C C 469 173.826 173.826 174.101 -0.275 17518
8787 1 16 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.723 -0.524 17518
8788 1 16 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.474 -0.425 17518
8789 1 16 . 1 1 50 50 VAL H H 469 9.242 9.242 8.970 0.272 17518
8790 1 16 . 1 1 51 51 ASP N N 470 126.346 126.346 124.946 1.400 17518
8791 1 16 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.829 0.084 17518
8792 1 16 . 1 1 51 51 ASP C C 470 177.013 177.013 176.155 0.858 17518
8793 1 16 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.088 -1.074 17518
8794 1 16 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.070 -0.151 17518
8795 1 16 . 1 1 51 51 ASP H H 470 8.476 8.476 8.506 -0.030 17518
8796 1 16 . 1 1 52 52 ILE N N 471 118.935 118.935 118.160 0.775 17518
8797 1 16 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.482 0.056 17518
8798 1 16 . 1 1 52 52 ILE C C 471 176.991 176.991 177.426 -0.435 17518
8799 1 16 . 1 1 52 52 ILE CA C 471 59.992 59.992 61.096 -1.104 17518
8800 1 16 . 1 1 52 52 ILE CB C 471 38.002 38.002 40.307 -2.305 17518
8801 1 16 . 1 1 52 52 ILE H H 471 8.728 8.728 8.271 0.457 17518
8802 1 16 . 1 1 53 53 GLY N N 472 114.498 114.498 111.503 2.995 17518
8803 1 16 . 1 1 53 53 GLY C C 472 174.971 174.971 175.708 -0.737 17518
8804 1 16 . 1 1 53 53 GLY CA C 472 47.668 47.668 47.542 0.126 17518
8805 1 16 . 1 1 53 53 GLY H H 472 9.078 9.078 7.667 1.411 17518
8806 1 16 . 1 1 54 54 SER N N 473 120.546 120.546 119.037 1.509 17518
8807 1 16 . 1 1 54 54 SER HA H 473 4.426 4.426 4.186 0.240 17518
8808 1 16 . 1 1 54 54 SER C C 473 174.975 174.975 173.702 1.273 17518
8809 1 16 . 1 1 54 54 SER CA C 473 58.417 58.417 60.105 -1.688 17518
8810 1 16 . 1 1 54 54 SER CB C 473 63.632 63.632 63.207 0.425 17518
8811 1 16 . 1 1 54 54 SER H H 473 8.808 8.808 8.594 0.214 17518
8812 1 16 . 1 1 55 55 ALA N N 474 125.402 125.402 122.378 3.024 17518
8813 1 16 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.588 -0.222 17518
8814 1 16 . 1 1 55 55 ALA C C 474 176.116 176.116 176.123 -0.007 17518
8815 1 16 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.254 1.118 17518
8816 1 16 . 1 1 55 55 ALA CB C 474 20.315 20.315 20.114 0.201 17518
8817 1 16 . 1 1 55 55 ALA H H 474 7.738 7.738 7.717 0.021 17518
8818 1 16 . 1 1 56 56 SER N N 475 110.149 110.149 116.883 -6.734 17518
8819 1 16 . 1 1 56 56 SER HA H 475 4.539 4.539 4.392 0.147 17518
8820 1 16 . 1 1 56 56 SER C C 475 173.662 173.662 173.875 -0.213 17518
8821 1 16 . 1 1 56 56 SER CA C 475 58.121 58.121 60.259 -2.138 17518
8822 1 16 . 1 1 56 56 SER CB C 475 65.000 65.000 63.929 1.071 17518
8823 1 16 . 1 1 56 56 SER H H 475 8.756 8.756 8.755 0.001 17518
8824 1 16 . 1 1 57 57 GLN N N 476 117.023 117.023 116.308 0.715 17518
8825 1 16 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.844 0.214 17518
8826 1 16 . 1 1 57 57 GLN C C 476 173.042 173.042 173.293 -0.251 17518
8827 1 16 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.055 -0.831 17518
8828 1 16 . 1 1 57 57 GLN CB C 476 33.609 33.609 34.049 -0.440 17518
8829 1 16 . 1 1 57 57 GLN H H 476 7.139 7.139 7.495 -0.356 17518
8830 1 16 . 1 1 58 58 LEU N N 477 121.156 121.156 121.629 -0.473 17518
8831 1 16 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.044 -0.298 17518
8832 1 16 . 1 1 58 58 LEU C C 477 173.922 173.922 174.390 -0.468 17518
8833 1 16 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.709 -1.201 17518
8834 1 16 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.316 0.964 17518
8835 1 16 . 1 1 58 58 LEU H H 477 9.149 9.149 9.241 -0.092 17518
8836 1 16 . 1 1 59 59 GLU N N 478 126.375 126.375 127.389 -1.014 17518
8837 1 16 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.532 -0.176 17518
8838 1 16 . 1 1 59 59 GLU C C 478 175.481 175.481 175.053 0.428 17518
8839 1 16 . 1 1 59 59 GLU CA C 478 54.597 54.597 54.941 -0.344 17518
8840 1 16 . 1 1 59 59 GLU CB C 478 32.759 32.759 33.029 -0.270 17518
8841 1 16 . 1 1 59 59 GLU H H 478 8.558 8.558 8.839 -0.281 17518
8842 1 16 . 1 1 60 60 ALA N N 479 124.321 124.321 128.384 -4.063 17518
8843 1 16 . 1 1 60 60 ALA HA H 479 5.792 5.792 6.024 -0.232 17518
8844 1 16 . 1 1 60 60 ALA C C 479 174.955 174.955 175.390 -0.435 17518
8845 1 16 . 1 1 60 60 ALA CA C 479 51.141 51.141 51.338 -0.197 17518
8846 1 16 . 1 1 60 60 ALA CB C 479 25.094 25.094 24.087 1.007 17518
8847 1 16 . 1 1 60 60 ALA H H 479 9.614 9.614 9.483 0.131 17518
8848 1 16 . 1 1 61 61 ALA N N 480 120.954 120.954 121.284 -0.330 17518
8849 1 16 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.319 -0.525 17518
8850 1 16 . 1 1 61 61 ALA C C 480 174.782 174.782 174.911 -0.129 17518
8851 1 16 . 1 1 61 61 ALA CA C 480 51.257 51.257 50.530 0.727 17518
8852 1 16 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.881 0.333 17518
8853 1 16 . 1 1 61 61 ALA H H 480 9.346 9.346 9.382 -0.036 17518
8854 1 16 . 1 1 62 62 PHE N N 481 117.021 117.021 119.618 -2.597 17518
8855 1 16 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.773 1.111 17518
8856 1 16 . 1 1 62 62 PHE C C 481 175.044 175.044 173.190 1.854 17518
8857 1 16 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.081 1.507 17518
8858 1 16 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.039 1.224 17518
8859 1 16 . 1 1 62 62 PHE H H 481 8.351 8.351 8.696 -0.345 17518
8860 1 16 . 1 1 63 63 ASN N N 482 116.362 116.362 121.663 -5.301 17518
8861 1 16 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.250 0.858 17518
8862 1 16 . 1 1 63 63 ASN C C 482 172.088 172.088 174.428 -2.340 17518
8863 1 16 . 1 1 63 63 ASN CA C 482 53.710 53.710 51.622 2.088 17518
8864 1 16 . 1 1 63 63 ASN CB C 482 41.348 41.348 40.601 0.747 17518
8865 1 16 . 1 1 63 63 ASN H H 482 9.077 9.077 8.410 0.667 17518
8866 1 16 . 1 1 64 64 ASP N N 483 118.002 118.002 120.276 -2.274 17518
8867 1 16 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.111 0.073 17518
8868 1 16 . 1 1 64 64 ASP C C 483 177.271 177.271 177.463 -0.192 17518
8869 1 16 . 1 1 64 64 ASP CA C 483 52.301 52.301 54.688 -2.387 17518
8870 1 16 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.722 1.165 17518
8871 1 16 . 1 1 64 64 ASP H H 483 7.482 7.482 8.029 -0.547 17518
8872 1 16 . 1 1 65 65 GLY N N 484 110.602 110.602 108.142 2.460 17518
8873 1 16 . 1 1 65 65 GLY C C 484 173.156 173.156 174.044 -0.888 17518
8874 1 16 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.610 0.005 17518
8875 1 16 . 1 1 65 65 GLY H H 484 8.696 8.696 7.424 1.272 17518
8876 1 16 . 1 1 66 66 ASN N N 485 120.867 120.867 119.311 1.556 17518
8877 1 16 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.671 0.033 17518
8878 1 16 . 1 1 66 66 ASN C C 485 174.442 174.442 174.869 -0.427 17518
8879 1 16 . 1 1 66 66 ASN CA C 485 52.311 52.311 54.994 -2.683 17518
8880 1 16 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.202 0.289 17518
8881 1 16 . 1 1 66 66 ASN H H 485 8.371 8.371 8.448 -0.077 17518
8882 1 16 . 1 1 67 67 ASN N N 486 113.518 113.518 115.095 -1.577 17518
8883 1 16 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.912 -0.734 17518
8884 1 16 . 1 1 67 67 ASN C C 486 173.845 173.845 173.625 0.220 17518
8885 1 16 . 1 1 67 67 ASN CA C 486 54.486 54.486 52.941 1.545 17518
8886 1 16 . 1 1 67 67 ASN CB C 486 38.267 38.267 40.957 -2.690 17518
8887 1 16 . 1 1 67 67 ASN H H 486 8.700 8.700 8.327 0.373 17518
8888 1 16 . 1 1 68 68 ASN N N 487 118.464 118.464 120.258 -1.794 17518
8889 1 16 . 1 1 68 68 ASN HA H 487 5.058 5.058 5.080 -0.022 17518
8890 1 16 . 1 1 68 68 ASN C C 487 173.449 173.449 173.315 0.134 17518
8891 1 16 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.792 0.476 17518
8892 1 16 . 1 1 68 68 ASN CB C 487 38.813 38.813 40.339 -1.526 17518
8893 1 16 . 1 1 68 68 ASN H H 487 7.975 7.975 8.601 -0.626 17518
8894 1 16 . 1 1 69 69 TRP N N 488 120.817 120.817 122.419 -1.602 17518
8895 1 16 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.928 -0.106 17518
8896 1 16 . 1 1 69 69 TRP C C 488 176.268 176.268 175.281 0.987 17518
8897 1 16 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.701 1.477 17518
8898 1 16 . 1 1 69 69 TRP CB C 488 32.331 32.331 32.055 0.276 17518
8899 1 16 . 1 1 69 69 TRP H H 488 8.771 8.771 8.621 0.150 17518
8900 1 16 . 1 1 70 70 ASP N N 489 122.179 122.179 119.434 2.745 17518
8901 1 16 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.235 -0.039 17518
8902 1 16 . 1 1 70 70 ASP C C 489 175.441 175.441 174.529 0.912 17518
8903 1 16 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.261 -0.916 17518
8904 1 16 . 1 1 70 70 ASP CB C 489 41.968 41.968 44.257 -2.289 17518
8905 1 16 . 1 1 70 70 ASP H H 489 9.795 9.795 8.918 0.877 17518
8906 1 16 . 1 1 71 71 SER N N 490 117.314 117.314 116.746 0.568 17518
8907 1 16 . 1 1 71 71 SER HA H 490 5.084 5.084 4.653 0.431 17518
8908 1 16 . 1 1 71 71 SER C C 490 175.277 175.277 174.068 1.209 17518
8909 1 16 . 1 1 71 71 SER CA C 490 56.099 56.099 55.459 0.640 17518
8910 1 16 . 1 1 71 71 SER CB C 490 66.550 66.550 66.679 -0.129 17518
8911 1 16 . 1 1 71 71 SER H H 490 9.238 9.238 7.909 1.329 17518
8912 1 16 . 1 1 72 72 ASN N N 491 122.911 122.911 118.063 4.848 17518
8913 1 16 . 1 1 72 72 ASN HA H 491 4.367 4.367 3.896 0.471 17518
8914 1 16 . 1 1 72 72 ASN C C 491 176.857 176.857 175.056 1.801 17518
8915 1 16 . 1 1 72 72 ASN CA C 491 53.192 53.192 55.636 -2.444 17518
8916 1 16 . 1 1 72 72 ASN CB C 491 35.574 35.574 38.318 -2.744 17518
8917 1 16 . 1 1 72 72 ASN H H 491 8.536 8.536 8.283 0.253 17518
8918 1 16 . 1 1 73 73 ASN N N 492 116.146 116.146 111.672 4.474 17518
8919 1 16 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.614 -0.229 17518
8920 1 16 . 1 1 73 73 ASN C C 492 176.335 176.335 174.168 2.167 17518
8921 1 16 . 1 1 73 73 ASN CA C 492 54.488 54.488 54.052 0.436 17518
8922 1 16 . 1 1 73 73 ASN CB C 492 37.331 37.331 38.245 -0.914 17518
8923 1 16 . 1 1 73 73 ASN H H 492 9.086 9.086 8.112 0.974 17518
8924 1 16 . 1 1 74 74 THR N N 493 110.420 110.420 109.938 0.482 17518
8925 1 16 . 1 1 74 74 THR HA H 493 3.779 3.779 4.343 -0.564 17518
8926 1 16 . 1 1 74 74 THR C C 493 173.194 173.194 172.990 0.204 17518
8927 1 16 . 1 1 74 74 THR CA C 493 65.027 65.027 63.349 1.678 17518
8928 1 16 . 1 1 74 74 THR CB C 493 69.730 69.730 68.438 1.292 17518
8929 1 16 . 1 1 74 74 THR H H 493 7.782 7.782 7.816 -0.034 17518
8930 1 16 . 1 1 75 75 LYS N N 494 121.968 121.968 119.536 2.432 17518
8931 1 16 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.367 -0.300 17518
8932 1 16 . 1 1 75 75 LYS C C 494 177.470 177.470 175.490 1.980 17518
8933 1 16 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.133 1.876 17518
8934 1 16 . 1 1 75 75 LYS CB C 494 32.586 32.586 34.200 -1.614 17518
8935 1 16 . 1 1 75 75 LYS H H 494 7.652 7.652 7.907 -0.255 17518
8936 1 16 . 1 1 76 76 ASN N N 495 108.525 108.525 114.301 -5.776 17518
8937 1 16 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.673 -0.743 17518
8938 1 16 . 1 1 76 76 ASN C C 495 172.085 172.085 173.436 -1.351 17518
8939 1 16 . 1 1 76 76 ASN CA C 495 54.413 54.413 53.084 1.329 17518
8940 1 16 . 1 1 76 76 ASN CB C 495 39.048 39.048 39.922 -0.874 17518
8941 1 16 . 1 1 76 76 ASN H H 495 8.197 8.197 7.919 0.278 17518
8942 1 16 . 1 1 77 77 TYR N N 496 118.076 118.076 119.001 -0.925 17518
8943 1 16 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.654 0.139 17518
8944 1 16 . 1 1 77 77 TYR C C 496 175.074 175.074 174.995 0.079 17518
8945 1 16 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.892 -0.222 17518
8946 1 16 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.788 0.997 17518
8947 1 16 . 1 1 77 77 TYR H H 496 9.133 9.133 8.763 0.370 17518
8948 1 16 . 1 1 78 78 SER N N 497 116.400 116.400 115.529 0.871 17518
8949 1 16 . 1 1 78 78 SER HA H 497 5.345 5.345 4.585 0.760 17518
8950 1 16 . 1 1 78 78 SER C C 497 173.130 173.130 173.187 -0.057 17518
8951 1 16 . 1 1 78 78 SER CA C 497 57.191 57.191 56.512 0.679 17518
8952 1 16 . 1 1 78 78 SER CB C 497 64.293 64.293 63.930 0.363 17518
8953 1 16 . 1 1 78 78 SER H H 497 8.204 8.204 8.204 0.000 17518
8954 1 16 . 1 1 79 79 PHE N N 498 123.023 123.023 124.944 -1.921 17518
8955 1 16 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.903 -0.093 17518
8956 1 16 . 1 1 79 79 PHE C C 498 175.275 175.275 174.204 1.071 17518
8957 1 16 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.468 0.539 17518
8958 1 16 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.395 -0.406 17518
8959 1 16 . 1 1 79 79 PHE H H 498 9.054 9.054 9.163 -0.109 17518
8960 1 16 . 1 1 80 80 SER N N 499 117.002 117.002 116.791 0.211 17518
8961 1 16 . 1 1 80 80 SER HA H 499 4.997 4.997 4.838 0.159 17518
8962 1 16 . 1 1 80 80 SER C C 499 173.356 173.356 175.179 -1.823 17518
8963 1 16 . 1 1 80 80 SER CA C 499 57.357 57.357 57.297 0.060 17518
8964 1 16 . 1 1 80 80 SER CB C 499 65.301 65.301 65.090 0.211 17518
8965 1 16 . 1 1 80 80 SER H H 499 8.804 8.804 8.608 0.196 17518
8966 1 16 . 1 1 81 81 THR N N 500 112.529 112.529 114.127 -1.598 17518
8967 1 16 . 1 1 81 81 THR HA H 500 3.820 3.820 3.949 -0.129 17518
8968 1 16 . 1 1 81 81 THR C C 500 174.378 174.378 175.287 -0.909 17518
8969 1 16 . 1 1 81 81 THR CA C 500 64.220 64.220 63.504 0.716 17518
8970 1 16 . 1 1 81 81 THR CB C 500 69.475 69.475 69.024 0.451 17518
8971 1 16 . 1 1 81 81 THR H H 500 7.559 7.559 8.258 -0.699 17518
8972 1 16 . 1 1 82 82 GLY N N 501 112.234 112.234 114.015 -1.781 17518
8973 1 16 . 1 1 82 82 GLY C C 501 174.342 174.342 172.052 2.290 17518
8974 1 16 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.628 -0.833 17518
8975 1 16 . 1 1 82 82 GLY H H 501 8.409 8.409 8.550 -0.141 17518
8976 1 16 . 1 1 83 83 THR N N 502 120.411 120.411 118.425 1.986 17518
8977 1 16 . 1 1 83 83 THR HA H 502 5.487 5.487 5.252 0.235 17518
8978 1 16 . 1 1 83 83 THR C C 502 174.798 174.798 173.446 1.352 17518
8979 1 16 . 1 1 83 83 THR CA C 502 62.497 62.497 60.643 1.854 17518
8980 1 16 . 1 1 83 83 THR CB C 502 69.978 69.978 71.545 -1.567 17518
8981 1 16 . 1 1 83 83 THR H H 502 8.729 8.729 8.170 0.559 17518
8982 1 16 . 1 1 84 84 SER N N 503 123.023 123.023 121.180 1.843 17518
8983 1 16 . 1 1 84 84 SER HA H 503 5.409 5.409 5.234 0.175 17518
8984 1 16 . 1 1 84 84 SER C C 503 171.976 171.976 173.449 -1.473 17518
8985 1 16 . 1 1 84 84 SER CA C 503 58.675 58.675 56.733 1.942 17518
8986 1 16 . 1 1 84 84 SER CB C 503 67.607 67.607 66.375 1.232 17518
8987 1 16 . 1 1 84 84 SER H H 503 9.121 9.121 9.190 -0.069 17518
8988 1 16 . 1 1 85 85 THR N N 504 118.388 118.388 118.452 -0.064 17518
8989 1 16 . 1 1 85 85 THR HA H 504 5.241 5.241 5.178 0.063 17518
8990 1 16 . 1 1 85 85 THR C C 504 172.930 172.930 172.961 -0.031 17518
8991 1 16 . 1 1 85 85 THR CA C 504 62.672 62.672 62.325 0.347 17518
8992 1 16 . 1 1 85 85 THR CB C 504 70.641 70.641 71.166 -0.525 17518
8993 1 16 . 1 1 85 85 THR H H 504 9.445 9.445 8.902 0.543 17518
8994 1 16 . 1 1 86 86 TYR N N 505 129.195 129.195 128.996 0.199 17518
8995 1 16 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.368 -0.259 17518
8996 1 16 . 1 1 86 86 TYR C C 505 173.063 173.063 173.701 -0.638 17518
8997 1 16 . 1 1 86 86 TYR CA C 505 57.280 57.280 56.303 0.977 17518
8998 1 16 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.044 -0.384 17518
8999 1 16 . 1 1 86 86 TYR H H 505 9.858 9.858 9.759 0.099 17518
9000 1 16 . 1 1 87 87 THR N N 506 124.861 124.861 122.994 1.867 17518
9001 1 16 . 1 1 87 87 THR HA H 506 4.288 4.288 4.985 -0.697 17518
9002 1 16 . 1 1 87 87 THR C C 506 171.472 171.472 171.892 -0.420 17518
9003 1 16 . 1 1 87 87 THR CA C 506 58.917 58.917 59.141 -0.224 17518
9004 1 16 . 1 1 87 87 THR CB C 506 70.055 70.055 71.093 -1.038 17518
9005 1 16 . 1 1 87 87 THR H H 506 7.906 7.906 8.827 -0.921 17518
9006 1 16 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.604 -0.598 17518
9007 1 16 . 1 1 88 88 PRO C C 507 176.975 176.975 176.755 0.220 17518
9008 1 16 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.309 0.689 17518
9009 1 16 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.304 0.070 17518
9010 1 16 . 1 1 89 89 GLY N N 508 108.823 108.823 109.656 -0.833 17518
9011 1 16 . 1 1 89 89 GLY C C 508 173.757 173.757 174.382 -0.625 17518
9012 1 16 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.527 -0.449 17518
9013 1 16 . 1 1 89 89 GLY H H 508 8.294 8.294 8.733 -0.439 17518
9014 1 16 . 1 1 90 90 ASN N N 509 117.850 117.850 122.592 -4.742 17518
9015 1 16 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.647 0.076 17518
9016 1 16 . 1 1 90 90 ASN C C 509 176.078 176.078 174.767 1.311 17518
9017 1 16 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.670 -0.765 17518
9018 1 16 . 1 1 90 90 ASN CB C 509 39.922 39.922 37.927 1.995 17518
9019 1 16 . 1 1 90 90 ASN H H 509 8.434 8.434 8.531 -0.097 17518
9020 1 16 . 1 1 91 91 SER N N 510 114.973 114.973 114.638 0.335 17518
9021 1 16 . 1 1 91 91 SER HA H 510 4.133 4.133 4.440 -0.307 17518
9022 1 16 . 1 1 91 91 SER C C 510 174.773 174.773 174.257 0.516 17518
9023 1 16 . 1 1 91 91 SER CA C 510 58.662 58.662 58.612 0.050 17518
9024 1 16 . 1 1 91 91 SER CB C 510 62.209 62.209 63.329 -1.120 17518
9025 1 16 . 1 1 91 91 SER H H 510 8.819 8.819 8.281 0.538 17518
9026 1 16 . 1 1 92 92 GLY N N 511 108.552 108.552 108.743 -0.191 17518
9027 1 16 . 1 1 92 92 GLY C C 511 174.613 174.613 174.289 0.324 17518
9028 1 16 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.405 -0.142 17518
9029 1 16 . 1 1 92 92 GLY H H 511 8.472 8.472 8.375 0.097 17518
9030 1 16 . 1 1 93 93 ASN N N 512 119.035 119.035 119.404 -0.369 17518
9031 1 16 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.678 0.092 17518
9032 1 16 . 1 1 93 93 ASN C C 512 174.627 174.627 174.859 -0.232 17518
9033 1 16 . 1 1 93 93 ASN CA C 512 52.833 52.833 53.276 -0.443 17518
9034 1 16 . 1 1 93 93 ASN CB C 512 39.771 39.771 39.215 0.556 17518
9035 1 16 . 1 1 93 93 ASN H H 512 7.985 7.985 8.214 -0.229 17518
9036 1 16 . 1 1 94 94 ALA N N 513 123.854 123.854 123.615 0.239 17518
9037 1 16 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.550 0.054 17518
9038 1 16 . 1 1 94 94 ALA C C 513 178.511 178.511 177.078 1.433 17518
9039 1 16 . 1 1 94 94 ALA CA C 513 52.699 52.699 50.870 1.829 17518
9040 1 16 . 1 1 94 94 ALA CB C 513 20.408 20.408 18.909 1.500 17518
9041 1 16 . 1 1 94 94 ALA H H 513 8.442 8.442 8.398 0.044 17518
9042 1 16 . 1 1 95 95 GLY N N 514 108.880 108.880 111.392 -2.512 17518
9043 1 16 . 1 1 95 95 GLY C C 514 173.104 173.104 174.228 -1.124 17518
9044 1 16 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.244 -0.349 17518
9045 1 16 . 1 1 95 95 GLY H H 514 8.353 8.353 8.227 0.126 17518
9046 1 16 . 1 1 96 96 THR N N 515 110.444 110.444 117.034 -6.590 17518
9047 1 16 . 1 1 96 96 THR HA H 515 4.504 4.504 4.490 0.014 17518
9048 1 16 . 1 1 96 96 THR C C 515 173.214 173.214 174.025 -0.811 17518
9049 1 16 . 1 1 96 96 THR CA C 515 60.947 60.947 61.030 -0.083 17518
9050 1 16 . 1 1 96 96 THR CB C 515 72.111 72.111 70.254 1.857 17518
9051 1 16 . 1 1 96 96 THR H H 515 7.839 7.839 8.400 -0.561 17518
9052 1 16 . 1 1 97 97 ILE N N 516 126.770 126.770 125.200 1.570 17518
9053 1 16 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.306 -0.335 17518
9054 1 16 . 1 1 97 97 ILE C C 516 176.061 176.061 175.728 0.333 17518
9055 1 16 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.398 1.647 17518
9056 1 16 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.365 -0.624 17518
9057 1 16 . 1 1 97 97 ILE H H 516 8.733 8.733 8.428 0.305 17518
9058 1 16 . 1 1 98 98 THR N N 517 121.307 121.307 119.853 1.454 17518
9059 1 16 . 1 1 98 98 THR HA H 517 4.693 4.693 4.695 -0.002 17518
9060 1 16 . 1 1 98 98 THR C C 517 173.622 173.622 173.776 -0.154 17518
9061 1 16 . 1 1 98 98 THR CA C 517 59.692 59.692 59.650 0.042 17518
9062 1 16 . 1 1 98 98 THR CB C 517 71.290 71.290 70.900 0.390 17518
9063 1 16 . 1 1 98 98 THR H H 517 9.270 9.270 9.115 0.155 17518
9064 1 16 . 1 1 99 99 SER N N 518 118.544 118.544 119.152 -0.608 17518
9065 1 16 . 1 1 99 99 SER HA H 518 4.548 4.548 4.729 -0.181 17518
9066 1 16 . 1 1 99 99 SER C C 518 175.405 175.405 174.146 1.259 17518
9067 1 16 . 1 1 99 99 SER CA C 518 59.662 59.662 57.985 1.677 17518
9068 1 16 . 1 1 99 99 SER CB C 518 63.836 63.836 62.376 1.460 17518
9069 1 16 . 1 1 99 99 SER H H 518 8.667 8.667 8.625 0.042 17518
9070 1 16 . 1 1 100 100 GLY N N 519 113.982 113.982 111.453 2.529 17518
9071 1 16 . 1 1 100 100 GLY C C 519 171.714 171.714 172.864 -1.150 17518
9072 1 16 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.426 -0.353 17518
9073 1 16 . 1 1 100 100 GLY H H 519 8.443 8.443 7.443 1.000 17518
9074 1 16 . 1 1 101 101 ALA N N 520 120.741 120.741 126.058 -5.317 17518
9075 1 16 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.700 -1.093 17518
9076 1 16 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.862 -1.399 17518
9077 1 16 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.145 -1.014 17518
9078 1 16 . 1 1 101 101 ALA H H 520 7.908 7.908 8.256 -0.348 17518
9079 1 16 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.360 -0.318 17518
9080 1 16 . 1 1 102 102 PRO C C 521 175.467 175.467 176.472 -1.005 17518
9081 1 16 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.673 0.025 17518
9082 1 16 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.357 -0.493 17518
9083 1 16 . 1 1 103 103 ALA N N 522 122.930 122.930 125.542 -2.612 17518
9084 1 16 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.408 -0.295 17518
9085 1 16 . 1 1 103 103 ALA C C 522 177.009 177.009 177.277 -0.268 17518
9086 1 16 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.537 0.419 17518
9087 1 16 . 1 1 103 103 ALA CB C 522 19.689 19.689 17.919 1.770 17518
9088 1 16 . 1 1 103 103 ALA H H 522 7.993 7.993 8.452 -0.459 17518
9089 1 17 . 1 1 2 2 GLY C C 421 174.167 174.167 174.550 -0.383 17518
9090 1 17 . 1 1 2 2 GLY CA C 421 45.259 45.259 46.980 -1.721 17518
9091 1 17 . 1 1 3 3 THR N N 422 113.380 113.380 115.516 -2.136 17518
9092 1 17 . 1 1 3 3 THR HA H 422 4.348 4.348 4.374 -0.026 17518
9093 1 17 . 1 1 3 3 THR C C 422 174.773 174.773 173.116 1.657 17518
9094 1 17 . 1 1 3 3 THR CA C 422 61.357 61.357 61.135 0.222 17518
9095 1 17 . 1 1 3 3 THR CB C 422 69.791 69.791 69.761 0.030 17518
9096 1 17 . 1 1 3 3 THR H H 422 8.099 8.099 8.083 0.016 17518
9097 1 17 . 1 1 4 4 GLY N N 423 113.124 113.124 112.704 0.420 17518
9098 1 17 . 1 1 4 4 GLY C C 423 173.909 173.909 172.882 1.027 17518
9099 1 17 . 1 1 4 4 GLY CA C 423 45.058 45.058 45.415 -0.357 17518
9100 1 17 . 1 1 4 4 GLY H H 423 8.770 8.770 8.350 0.420 17518
9101 1 17 . 1 1 5 5 ASN N N 424 121.226 121.226 119.147 2.079 17518
9102 1 17 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.923 -0.349 17518
9103 1 17 . 1 1 5 5 ASN C C 424 174.450 174.450 173.975 0.475 17518
9104 1 17 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.934 0.303 17518
9105 1 17 . 1 1 5 5 ASN CB C 424 38.520 38.520 41.237 -2.717 17518
9106 1 17 . 1 1 5 5 ASN H H 424 8.988 8.988 8.416 0.572 17518
9107 1 17 . 1 1 6 6 LYS N N 425 119.587 119.587 119.510 0.077 17518
9108 1 17 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.621 0.508 17518
9109 1 17 . 1 1 6 6 LYS C C 425 176.281 176.281 174.630 1.651 17518
9110 1 17 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.273 -0.879 17518
9111 1 17 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.850 -0.402 17518
9112 1 17 . 1 1 6 6 LYS H H 425 8.354 8.354 8.305 0.049 17518
9113 1 17 . 1 1 7 7 VAL N N 426 124.203 124.203 123.735 0.468 17518
9114 1 17 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.860 -0.398 17518
9115 1 17 . 1 1 7 7 VAL C C 426 174.564 174.564 174.751 -0.187 17518
9116 1 17 . 1 1 7 7 VAL CA C 426 61.369 61.369 61.207 0.162 17518
9117 1 17 . 1 1 7 7 VAL CB C 426 34.432 34.432 34.382 0.050 17518
9118 1 17 . 1 1 7 7 VAL H H 426 8.774 8.774 8.984 -0.210 17518
9119 1 17 . 1 1 8 8 THR N N 427 125.363 125.363 123.981 1.382 17518
9120 1 17 . 1 1 8 8 THR HA H 427 5.326 5.326 5.193 0.133 17518
9121 1 17 . 1 1 8 8 THR C C 427 173.108 173.108 173.429 -0.321 17518
9122 1 17 . 1 1 8 8 THR CA C 427 61.752 61.752 62.193 -0.441 17518
9123 1 17 . 1 1 8 8 THR CB C 427 69.860 69.860 70.484 -0.624 17518
9124 1 17 . 1 1 8 8 THR H H 427 8.851 8.851 9.098 -0.247 17518
9125 1 17 . 1 1 9 9 ILE N N 428 127.015 127.015 126.192 0.823 17518
9126 1 17 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.700 -0.044 17518
9127 1 17 . 1 1 9 9 ILE C C 428 175.404 175.404 174.187 1.217 17518
9128 1 17 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.437 -0.557 17518
9129 1 17 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.575 1.616 17518
9130 1 17 . 1 1 9 9 ILE H H 428 8.628 8.628 9.203 -0.575 17518
9131 1 17 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.449 -0.280 17518
9132 1 17 . 1 1 10 10 TYR C C 429 174.161 174.161 174.905 -0.744 17518
9133 1 17 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.262 2.989 17518
9134 1 17 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.196 1.187 17518
9135 1 17 . 1 1 10 10 TYR H H 429 9.069 9.069 9.230 -0.161 17518
9136 1 17 . 1 1 11 11 TYR N N 430 125.905 125.905 125.716 0.189 17518
9137 1 17 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.636 -0.646 17518
9138 1 17 . 1 1 11 11 TYR C C 430 173.359 173.359 174.304 -0.945 17518
9139 1 17 . 1 1 11 11 TYR CA C 430 56.630 56.630 55.164 1.466 17518
9140 1 17 . 1 1 11 11 TYR CB C 430 42.942 42.942 42.000 0.942 17518
9141 1 17 . 1 1 11 11 TYR H H 430 9.500 9.500 9.106 0.394 17518
9142 1 17 . 1 1 12 12 LYS N N 431 131.688 131.688 125.199 6.489 17518
9143 1 17 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.168 1.194 17518
9144 1 17 . 1 1 12 12 LYS C C 431 172.929 172.929 174.528 -1.599 17518
9145 1 17 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.134 0.733 17518
9146 1 17 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.264 0.907 17518
9147 1 17 . 1 1 12 12 LYS H H 431 8.410 8.410 7.609 0.801 17518
9148 1 17 . 1 1 13 13 LYS N N 432 125.124 125.124 125.729 -0.605 17518
9149 1 17 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.917 -0.045 17518
9150 1 17 . 1 1 13 13 LYS C C 432 180.107 180.107 176.164 3.943 17518
9151 1 17 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.746 -4.238 17518
9152 1 17 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.375 -0.721 17518
9153 1 17 . 1 1 14 14 GLY N N 433 112.761 112.761 112.557 0.204 17518
9154 1 17 . 1 1 14 14 GLY C C 433 174.180 174.180 174.391 -0.211 17518
9155 1 17 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.282 1.060 17518
9156 1 17 . 1 1 14 14 GLY H H 433 7.585 7.585 8.702 -1.117 17518
9157 1 17 . 1 1 15 15 PHE N N 434 121.529 121.529 119.501 2.028 17518
9158 1 17 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.761 -0.070 17518
9159 1 17 . 1 1 15 15 PHE C C 434 175.899 175.899 175.384 0.515 17518
9160 1 17 . 1 1 15 15 PHE CA C 434 57.157 57.157 60.446 -3.289 17518
9161 1 17 . 1 1 15 15 PHE CB C 434 38.472 38.472 41.005 -2.533 17518
9162 1 17 . 1 1 15 15 PHE H H 434 8.454 8.454 8.467 -0.013 17518
9163 1 17 . 1 1 16 16 ASN N N 435 117.583 117.583 114.409 3.174 17518
9164 1 17 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.729 -0.330 17518
9165 1 17 . 1 1 16 16 ASN C C 435 176.259 176.259 174.106 2.153 17518
9166 1 17 . 1 1 16 16 ASN CA C 435 56.521 56.521 53.976 2.545 17518
9167 1 17 . 1 1 16 16 ASN CB C 435 39.366 39.366 37.826 1.540 17518
9168 1 17 . 1 1 16 16 ASN H H 435 8.513 8.513 8.663 -0.150 17518
9169 1 17 . 1 1 17 17 SER N N 436 112.889 112.889 114.626 -1.737 17518
9170 1 17 . 1 1 17 17 SER HA H 436 4.798 4.798 4.807 -0.009 17518
9171 1 17 . 1 1 17 17 SER C C 436 171.151 171.151 171.713 -0.562 17518
9172 1 17 . 1 1 17 17 SER CA C 436 53.721 53.721 56.224 -2.503 17518
9173 1 17 . 1 1 17 17 SER CB C 436 63.834 63.834 63.927 -0.093 17518
9174 1 17 . 1 1 17 17 SER H H 436 8.315 8.315 8.204 0.111 17518
9175 1 17 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.580 -0.018 17518
9176 1 17 . 1 1 18 18 PRO C C 437 175.812 175.812 175.746 0.066 17518
9177 1 17 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.110 0.507 17518
9178 1 17 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.561 0.213 17518
9179 1 17 . 1 1 19 19 TYR N N 438 122.060 122.060 118.772 3.288 17518
9180 1 17 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.789 0.041 17518
9181 1 17 . 1 1 19 19 TYR C C 438 174.732 174.732 175.114 -0.382 17518
9182 1 17 . 1 1 19 19 TYR CA C 438 56.729 56.729 57.598 -0.869 17518
9183 1 17 . 1 1 19 19 TYR CB C 438 40.758 40.758 40.846 -0.088 17518
9184 1 17 . 1 1 19 19 TYR H H 438 9.072 9.072 8.599 0.473 17518
9185 1 17 . 1 1 20 20 ILE N N 439 118.018 118.018 120.518 -2.500 17518
9186 1 17 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.848 0.140 17518
9187 1 17 . 1 1 20 20 ILE C C 439 171.341 171.341 174.209 -2.868 17518
9188 1 17 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.079 -0.506 17518
9189 1 17 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.598 0.060 17518
9190 1 17 . 1 1 20 20 ILE H H 439 9.164 9.164 8.966 0.198 17518
9191 1 17 . 1 1 21 21 HIS N N 440 133.346 133.346 130.731 2.615 17518
9192 1 17 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.994 0.381 17518
9193 1 17 . 1 1 21 21 HIS C C 440 174.947 174.947 174.272 0.675 17518
9194 1 17 . 1 1 21 21 HIS CA C 440 53.801 53.801 55.016 -1.215 17518
9195 1 17 . 1 1 21 21 HIS CB C 440 35.001 35.001 31.312 3.689 17518
9196 1 17 . 1 1 21 21 HIS H H 440 8.843 8.843 8.704 0.139 17518
9197 1 17 . 1 1 22 22 TYR N N 441 121.863 121.863 122.947 -1.084 17518
9198 1 17 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.683 0.374 17518
9199 1 17 . 1 1 22 22 TYR C C 441 173.567 173.567 173.450 0.117 17518
9200 1 17 . 1 1 22 22 TYR CA C 441 56.693 56.693 55.075 1.618 17518
9201 1 17 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.825 0.971 17518
9202 1 17 . 1 1 22 22 TYR H H 441 8.231 8.231 7.663 0.568 17518
9203 1 17 . 1 1 23 23 ARG N N 442 116.788 116.788 120.676 -3.888 17518
9204 1 17 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.730 -0.099 17518
9205 1 17 . 1 1 23 23 ARG CA C 442 52.360 52.360 53.042 -0.682 17518
9206 1 17 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.420 -1.107 17518
9207 1 17 . 1 1 23 23 ARG H H 442 8.456 8.456 8.932 -0.476 17518
9208 1 17 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.505 0.002 17518
9209 1 17 . 1 1 24 24 PRO C C 443 176.258 176.258 176.004 0.254 17518
9210 1 17 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.942 0.302 17518
9211 1 17 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.338 -0.141 17518
9212 1 17 . 1 1 25 25 ALA N N 444 125.666 125.666 126.220 -0.554 17518
9213 1 17 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.946 0.011 17518
9214 1 17 . 1 1 25 25 ALA C C 444 179.221 179.221 177.480 1.741 17518
9215 1 17 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.402 0.778 17518
9216 1 17 . 1 1 25 25 ALA CB C 444 18.420 18.420 17.886 0.534 17518
9217 1 17 . 1 1 25 25 ALA H H 444 8.230 8.230 8.287 -0.057 17518
9218 1 17 . 1 1 26 26 GLY N N 445 112.217 112.217 110.304 1.913 17518
9219 1 17 . 1 1 26 26 GLY C C 445 174.734 174.734 174.437 0.297 17518
9220 1 17 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.609 1.053 17518
9221 1 17 . 1 1 26 26 GLY H H 445 8.591 8.591 7.863 0.728 17518
9222 1 17 . 1 1 27 27 GLY N N 446 109.489 109.489 109.700 -0.211 17518
9223 1 17 . 1 1 27 27 GLY C C 446 173.379 173.379 172.909 0.470 17518
9224 1 17 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.368 -0.251 17518
9225 1 17 . 1 1 27 27 GLY H H 446 8.380 8.380 8.488 -0.108 17518
9226 1 17 . 1 1 28 28 SER N N 447 117.275 117.275 114.563 2.712 17518
9227 1 17 . 1 1 28 28 SER HA H 447 4.637 4.637 4.562 0.075 17518
9228 1 17 . 1 1 28 28 SER C C 447 173.759 173.759 173.142 0.617 17518
9229 1 17 . 1 1 28 28 SER CA C 447 57.410 57.410 57.334 0.076 17518
9230 1 17 . 1 1 28 28 SER CB C 447 65.022 65.022 65.407 -0.385 17518
9231 1 17 . 1 1 28 28 SER H H 447 8.585 8.585 8.194 0.391 17518
9232 1 17 . 1 1 29 29 TRP N N 448 123.426 123.426 122.232 1.194 17518
9233 1 17 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.433 -0.040 17518
9234 1 17 . 1 1 29 29 TRP C C 448 178.997 178.997 177.461 1.536 17518
9235 1 17 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.598 0.568 17518
9236 1 17 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.433 0.173 17518
9237 1 17 . 1 1 29 29 TRP H H 448 8.346 8.346 8.458 -0.112 17518
9238 1 17 . 1 1 30 30 THR N N 449 111.168 111.168 111.813 -0.645 17518
9239 1 17 . 1 1 30 30 THR HA H 449 3.978 3.978 4.285 -0.307 17518
9240 1 17 . 1 1 30 30 THR C C 449 174.707 174.707 174.229 0.478 17518
9241 1 17 . 1 1 30 30 THR CA C 449 61.317 61.317 60.949 0.368 17518
9242 1 17 . 1 1 30 30 THR CB C 449 70.526 70.526 69.666 0.860 17518
9243 1 17 . 1 1 30 30 THR H H 449 7.888 7.888 7.670 0.218 17518
9244 1 17 . 1 1 31 31 ALA N N 450 122.982 122.982 123.968 -0.986 17518
9245 1 17 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.451 -0.052 17518
9246 1 17 . 1 1 31 31 ALA C C 450 178.443 178.443 177.296 1.147 17518
9247 1 17 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.300 0.584 17518
9248 1 17 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.225 -0.164 17518
9249 1 17 . 1 1 31 31 ALA H H 450 8.383 8.383 8.416 -0.033 17518
9250 1 17 . 1 1 32 32 ALA N N 451 129.780 129.780 128.424 1.356 17518
9251 1 17 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.421 -0.563 17518
9252 1 17 . 1 1 32 32 ALA C C 451 175.997 175.997 175.896 0.101 17518
9253 1 17 . 1 1 32 32 ALA CA C 451 51.811 51.811 51.146 0.665 17518
9254 1 17 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.143 -1.897 17518
9255 1 17 . 1 1 32 32 ALA H H 451 8.778 8.778 8.293 0.485 17518
9256 1 17 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.541 -0.697 17518
9257 1 17 . 1 1 33 33 PRO C C 452 173.297 173.297 176.910 -3.613 17518
9258 1 17 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.286 1.446 17518
9259 1 17 . 1 1 33 33 PRO CB C 452 33.646 33.646 33.328 0.318 17518
9260 1 17 . 1 1 34 34 GLY N N 453 112.150 112.150 111.121 1.029 17518
9261 1 17 . 1 1 34 34 GLY C C 453 174.011 174.011 174.420 -0.409 17518
9262 1 17 . 1 1 34 34 GLY CA C 453 43.995 43.995 46.312 -2.317 17518
9263 1 17 . 1 1 34 34 GLY H H 453 8.685 8.685 8.475 0.210 17518
9264 1 17 . 1 1 35 35 VAL N N 454 123.276 123.276 121.484 1.792 17518
9265 1 17 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.501 -0.155 17518
9266 1 17 . 1 1 35 35 VAL C C 454 174.782 174.782 174.750 0.032 17518
9267 1 17 . 1 1 35 35 VAL CA C 454 60.959 60.959 59.585 1.374 17518
9268 1 17 . 1 1 35 35 VAL CB C 454 34.857 34.857 35.677 -0.820 17518
9269 1 17 . 1 1 35 35 VAL H H 454 9.287 9.287 8.253 1.034 17518
9270 1 17 . 1 1 36 36 LYS N N 455 128.135 128.135 129.260 -1.125 17518
9271 1 17 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.276 -1.215 17518
9272 1 17 . 1 1 36 36 LYS C C 455 176.438 176.438 176.393 0.045 17518
9273 1 17 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.382 0.841 17518
9274 1 17 . 1 1 36 36 LYS CB C 455 32.619 32.619 31.905 0.714 17518
9275 1 17 . 1 1 36 36 LYS H H 455 8.443 8.443 8.486 -0.043 17518
9276 1 17 . 1 1 37 37 MET N N 456 124.850 124.850 125.671 -0.821 17518
9277 1 17 . 1 1 37 37 MET HA H 456 4.207 4.207 4.108 0.099 17518
9278 1 17 . 1 1 37 37 MET C C 456 175.590 175.590 176.675 -1.085 17518
9279 1 17 . 1 1 37 37 MET CA C 456 56.409 56.409 57.625 -1.216 17518
9280 1 17 . 1 1 37 37 MET CB C 456 34.978 34.978 31.739 3.239 17518
9281 1 17 . 1 1 37 37 MET H H 456 8.121 8.121 8.196 -0.075 17518
9282 1 17 . 1 1 38 38 GLN N N 457 121.555 121.555 122.730 -1.175 17518
9283 1 17 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.070 0.323 17518
9284 1 17 . 1 1 38 38 GLN C C 457 175.737 175.737 175.873 -0.136 17518
9285 1 17 . 1 1 38 38 GLN CA C 457 54.783 54.783 57.056 -2.273 17518
9286 1 17 . 1 1 38 38 GLN CB C 457 30.307 30.307 29.120 1.187 17518
9287 1 17 . 1 1 38 38 GLN H H 457 8.441 8.441 8.623 -0.182 17518
9288 1 17 . 1 1 39 39 ASP N N 458 121.629 121.629 118.901 2.728 17518
9289 1 17 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.589 0.142 17518
9290 1 17 . 1 1 39 39 ASP C C 458 176.733 176.733 175.183 1.550 17518
9291 1 17 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.314 1.943 17518
9292 1 17 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.939 -0.581 17518
9293 1 17 . 1 1 39 39 ASP H H 458 8.720 8.720 8.425 0.295 17518
9294 1 17 . 1 1 40 40 ALA N N 459 122.646 122.646 125.326 -2.680 17518
9295 1 17 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.635 -0.343 17518
9296 1 17 . 1 1 40 40 ALA C C 459 175.201 175.201 177.779 -2.578 17518
9297 1 17 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.254 0.302 17518
9298 1 17 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.863 2.084 17518
9299 1 17 . 1 1 40 40 ALA H H 459 8.423 8.423 8.836 -0.413 17518
9300 1 17 . 1 1 41 41 GLU N N 460 120.190 120.190 126.238 -6.048 17518
9301 1 17 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.925 0.382 17518
9302 1 17 . 1 1 41 41 GLU C C 460 174.722 174.722 177.719 -2.997 17518
9303 1 17 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.324 -0.805 17518
9304 1 17 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.142 -1.806 17518
9305 1 17 . 1 1 41 41 GLU H H 460 10.341 10.341 8.876 1.465 17518
9306 1 17 . 1 1 42 42 ILE N N 461 119.473 119.473 118.092 1.381 17518
9307 1 17 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.681 0.630 17518
9308 1 17 . 1 1 42 42 ILE C C 461 174.959 174.959 176.221 -1.262 17518
9309 1 17 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.269 -4.303 17518
9310 1 17 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.064 2.681 17518
9311 1 17 . 1 1 42 42 ILE H H 461 6.466 6.466 7.813 -1.347 17518
9312 1 17 . 1 1 43 43 SER N N 462 121.292 121.292 110.900 10.392 17518
9313 1 17 . 1 1 43 43 SER HA H 462 4.297 4.297 4.486 -0.189 17518
9314 1 17 . 1 1 43 43 SER C C 462 175.624 175.624 173.537 2.087 17518
9315 1 17 . 1 1 43 43 SER CA C 462 60.112 60.112 58.386 1.726 17518
9316 1 17 . 1 1 43 43 SER CB C 462 63.116 63.116 63.122 -0.006 17518
9317 1 17 . 1 1 43 43 SER H H 462 8.584 8.584 7.689 0.895 17518
9318 1 17 . 1 1 44 44 GLY N N 463 111.896 111.896 107.039 4.857 17518
9319 1 17 . 1 1 44 44 GLY C C 463 173.823 173.823 173.392 0.431 17518
9320 1 17 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.399 -0.520 17518
9321 1 17 . 1 1 44 44 GLY H H 463 8.623 8.623 7.920 0.703 17518
9322 1 17 . 1 1 45 45 TYR N N 464 116.379 116.379 119.946 -3.567 17518
9323 1 17 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.694 1.004 17518
9324 1 17 . 1 1 45 45 TYR C C 464 175.693 175.693 173.262 2.431 17518
9325 1 17 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.779 -0.167 17518
9326 1 17 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.520 -0.596 17518
9327 1 17 . 1 1 45 45 TYR H H 464 7.803 7.803 8.093 -0.290 17518
9328 1 17 . 1 1 46 46 ALA N N 465 126.206 126.206 120.246 5.960 17518
9329 1 17 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.441 -0.104 17518
9330 1 17 . 1 1 46 46 ALA C C 465 176.129 176.129 175.780 0.349 17518
9331 1 17 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.803 0.653 17518
9332 1 17 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.099 2.247 17518
9333 1 17 . 1 1 46 46 ALA H H 465 9.910 9.910 9.197 0.713 17518
9334 1 17 . 1 1 47 47 LYS N N 466 120.226 120.226 121.086 -0.860 17518
9335 1 17 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.206 0.466 17518
9336 1 17 . 1 1 47 47 LYS C C 466 173.880 173.880 174.760 -0.880 17518
9337 1 17 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.263 0.143 17518
9338 1 17 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.333 0.827 17518
9339 1 17 . 1 1 47 47 LYS H H 466 9.373 9.373 8.376 0.997 17518
9340 1 17 . 1 1 48 48 ILE N N 467 120.505 120.505 120.731 -0.226 17518
9341 1 17 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.637 -0.234 17518
9342 1 17 . 1 1 48 48 ILE C C 467 171.247 171.247 173.190 -1.943 17518
9343 1 17 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.169 0.214 17518
9344 1 17 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.967 -0.433 17518
9345 1 17 . 1 1 48 48 ILE H H 467 8.085 8.085 8.802 -0.717 17518
9346 1 17 . 1 1 49 49 THR N N 468 122.247 122.247 124.272 -2.025 17518
9347 1 17 . 1 1 49 49 THR HA H 468 5.301 5.301 5.283 0.018 17518
9348 1 17 . 1 1 49 49 THR C C 468 173.694 173.694 173.798 -0.104 17518
9349 1 17 . 1 1 49 49 THR CA C 468 61.871 61.871 60.709 1.162 17518
9350 1 17 . 1 1 49 49 THR CB C 468 70.649 70.649 69.735 0.914 17518
9351 1 17 . 1 1 49 49 THR H H 468 7.954 7.954 8.177 -0.223 17518
9352 1 17 . 1 1 50 50 VAL N N 469 126.076 126.076 124.844 1.232 17518
9353 1 17 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.050 0.061 17518
9354 1 17 . 1 1 50 50 VAL C C 469 173.826 173.826 173.923 -0.097 17518
9355 1 17 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.992 -0.793 17518
9356 1 17 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.541 -0.492 17518
9357 1 17 . 1 1 50 50 VAL H H 469 9.242 9.242 8.928 0.314 17518
9358 1 17 . 1 1 51 51 ASP N N 470 126.346 126.346 124.417 1.929 17518
9359 1 17 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.728 0.185 17518
9360 1 17 . 1 1 51 51 ASP C C 470 177.013 177.013 176.691 0.322 17518
9361 1 17 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.144 -1.130 17518
9362 1 17 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.155 -0.236 17518
9363 1 17 . 1 1 51 51 ASP H H 470 8.476 8.476 8.432 0.044 17518
9364 1 17 . 1 1 52 52 ILE N N 471 118.935 118.935 116.129 2.806 17518
9365 1 17 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.551 -0.013 17518
9366 1 17 . 1 1 52 52 ILE C C 471 176.991 176.991 176.484 0.507 17518
9367 1 17 . 1 1 52 52 ILE CA C 471 59.992 59.992 59.998 -0.006 17518
9368 1 17 . 1 1 52 52 ILE CB C 471 38.002 38.002 39.362 -1.360 17518
9369 1 17 . 1 1 52 52 ILE H H 471 8.728 8.728 8.250 0.478 17518
9370 1 17 . 1 1 53 53 GLY N N 472 114.498 114.498 110.947 3.551 17518
9371 1 17 . 1 1 53 53 GLY C C 472 174.971 174.971 174.832 0.139 17518
9372 1 17 . 1 1 53 53 GLY CA C 472 47.668 47.668 46.885 0.783 17518
9373 1 17 . 1 1 53 53 GLY H H 472 9.078 9.078 7.917 1.161 17518
9374 1 17 . 1 1 54 54 SER N N 473 120.546 120.546 116.885 3.661 17518
9375 1 17 . 1 1 54 54 SER HA H 473 4.426 4.426 4.016 0.410 17518
9376 1 17 . 1 1 54 54 SER C C 473 174.975 174.975 173.258 1.717 17518
9377 1 17 . 1 1 54 54 SER CA C 473 58.417 58.417 59.111 -0.694 17518
9378 1 17 . 1 1 54 54 SER CB C 473 63.632 63.632 63.339 0.293 17518
9379 1 17 . 1 1 54 54 SER H H 473 8.808 8.808 8.843 -0.035 17518
9380 1 17 . 1 1 55 55 ALA N N 474 125.402 125.402 123.051 2.351 17518
9381 1 17 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.787 -0.421 17518
9382 1 17 . 1 1 55 55 ALA C C 474 176.116 176.116 176.633 -0.517 17518
9383 1 17 . 1 1 55 55 ALA CA C 474 52.372 52.372 50.932 1.440 17518
9384 1 17 . 1 1 55 55 ALA CB C 474 20.315 20.315 21.195 -0.880 17518
9385 1 17 . 1 1 55 55 ALA H H 474 7.738 7.738 7.838 -0.100 17518
9386 1 17 . 1 1 56 56 SER N N 475 110.149 110.149 116.499 -6.350 17518
9387 1 17 . 1 1 56 56 SER HA H 475 4.539 4.539 4.369 0.170 17518
9388 1 17 . 1 1 56 56 SER C C 475 173.662 173.662 174.039 -0.377 17518
9389 1 17 . 1 1 56 56 SER CA C 475 58.121 58.121 58.968 -0.847 17518
9390 1 17 . 1 1 56 56 SER CB C 475 65.000 65.000 63.892 1.108 17518
9391 1 17 . 1 1 56 56 SER H H 475 8.756 8.756 8.699 0.057 17518
9392 1 17 . 1 1 57 57 GLN N N 476 117.023 117.023 117.967 -0.944 17518
9393 1 17 . 1 1 57 57 GLN HA H 476 5.058 5.058 5.006 0.052 17518
9394 1 17 . 1 1 57 57 GLN C C 476 173.042 173.042 173.336 -0.294 17518
9395 1 17 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.108 -0.884 17518
9396 1 17 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.906 -0.297 17518
9397 1 17 . 1 1 57 57 GLN H H 476 7.139 7.139 7.403 -0.264 17518
9398 1 17 . 1 1 58 58 LEU N N 477 121.156 121.156 120.969 0.187 17518
9399 1 17 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.088 -0.342 17518
9400 1 17 . 1 1 58 58 LEU C C 477 173.922 173.922 174.026 -0.104 17518
9401 1 17 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.225 -0.717 17518
9402 1 17 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.489 0.791 17518
9403 1 17 . 1 1 58 58 LEU H H 477 9.149 9.149 9.166 -0.017 17518
9404 1 17 . 1 1 59 59 GLU N N 478 126.375 126.375 126.208 0.167 17518
9405 1 17 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.518 -0.162 17518
9406 1 17 . 1 1 59 59 GLU C C 478 175.481 175.481 175.040 0.441 17518
9407 1 17 . 1 1 59 59 GLU CA C 478 54.597 54.597 54.745 -0.148 17518
9408 1 17 . 1 1 59 59 GLU CB C 478 32.759 32.759 32.970 -0.211 17518
9409 1 17 . 1 1 59 59 GLU H H 478 8.558 8.558 9.069 -0.511 17518
9410 1 17 . 1 1 60 60 ALA N N 479 124.321 124.321 128.671 -4.350 17518
9411 1 17 . 1 1 60 60 ALA HA H 479 5.792 5.792 6.100 -0.308 17518
9412 1 17 . 1 1 60 60 ALA C C 479 174.955 174.955 175.313 -0.358 17518
9413 1 17 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.958 0.183 17518
9414 1 17 . 1 1 60 60 ALA CB C 479 25.094 25.094 24.057 1.037 17518
9415 1 17 . 1 1 60 60 ALA H H 479 9.614 9.614 9.237 0.377 17518
9416 1 17 . 1 1 61 61 ALA N N 480 120.954 120.954 120.700 0.254 17518
9417 1 17 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.102 -0.308 17518
9418 1 17 . 1 1 61 61 ALA C C 480 174.782 174.782 174.911 -0.129 17518
9419 1 17 . 1 1 61 61 ALA CA C 480 51.257 51.257 50.761 0.496 17518
9420 1 17 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.738 0.476 17518
9421 1 17 . 1 1 61 61 ALA H H 480 9.346 9.346 9.279 0.067 17518
9422 1 17 . 1 1 62 62 PHE N N 481 117.021 117.021 120.125 -3.104 17518
9423 1 17 . 1 1 62 62 PHE HA H 481 5.884 5.884 5.031 0.853 17518
9424 1 17 . 1 1 62 62 PHE C C 481 175.044 175.044 173.281 1.763 17518
9425 1 17 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.092 1.496 17518
9426 1 17 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.889 0.374 17518
9427 1 17 . 1 1 62 62 PHE H H 481 8.351 8.351 8.874 -0.523 17518
9428 1 17 . 1 1 63 63 ASN N N 482 116.362 116.362 121.625 -5.263 17518
9429 1 17 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.255 0.853 17518
9430 1 17 . 1 1 63 63 ASN C C 482 172.088 172.088 174.162 -2.074 17518
9431 1 17 . 1 1 63 63 ASN CA C 482 53.710 53.710 51.970 1.740 17518
9432 1 17 . 1 1 63 63 ASN CB C 482 41.348 41.348 40.753 0.595 17518
9433 1 17 . 1 1 63 63 ASN H H 482 9.077 9.077 8.452 0.625 17518
9434 1 17 . 1 1 64 64 ASP N N 483 118.002 118.002 120.559 -2.557 17518
9435 1 17 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.033 0.151 17518
9436 1 17 . 1 1 64 64 ASP C C 483 177.271 177.271 177.179 0.092 17518
9437 1 17 . 1 1 64 64 ASP CA C 483 52.301 52.301 54.397 -2.096 17518
9438 1 17 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.703 1.184 17518
9439 1 17 . 1 1 64 64 ASP H H 483 7.482 7.482 7.809 -0.327 17518
9440 1 17 . 1 1 65 65 GLY N N 484 110.602 110.602 108.067 2.535 17518
9441 1 17 . 1 1 65 65 GLY C C 484 173.156 173.156 174.086 -0.930 17518
9442 1 17 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.546 0.069 17518
9443 1 17 . 1 1 65 65 GLY H H 484 8.696 8.696 7.389 1.307 17518
9444 1 17 . 1 1 66 66 ASN N N 485 120.867 120.867 119.402 1.465 17518
9445 1 17 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.669 0.035 17518
9446 1 17 . 1 1 66 66 ASN C C 485 174.442 174.442 174.900 -0.458 17518
9447 1 17 . 1 1 66 66 ASN CA C 485 52.311 52.311 55.024 -2.713 17518
9448 1 17 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.210 0.281 17518
9449 1 17 . 1 1 66 66 ASN H H 485 8.371 8.371 8.479 -0.108 17518
9450 1 17 . 1 1 67 67 ASN N N 486 113.518 113.518 114.923 -1.405 17518
9451 1 17 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.914 -0.736 17518
9452 1 17 . 1 1 67 67 ASN C C 486 173.845 173.845 173.648 0.197 17518
9453 1 17 . 1 1 67 67 ASN CA C 486 54.486 54.486 52.908 1.578 17518
9454 1 17 . 1 1 67 67 ASN CB C 486 38.267 38.267 40.965 -2.698 17518
9455 1 17 . 1 1 67 67 ASN H H 486 8.700 8.700 8.354 0.346 17518
9456 1 17 . 1 1 68 68 ASN N N 487 118.464 118.464 120.199 -1.735 17518
9457 1 17 . 1 1 68 68 ASN HA H 487 5.058 5.058 5.089 -0.031 17518
9458 1 17 . 1 1 68 68 ASN C C 487 173.449 173.449 173.236 0.213 17518
9459 1 17 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.764 0.504 17518
9460 1 17 . 1 1 68 68 ASN CB C 487 38.813 38.813 40.234 -1.421 17518
9461 1 17 . 1 1 68 68 ASN H H 487 7.975 7.975 8.448 -0.473 17518
9462 1 17 . 1 1 69 69 TRP N N 488 120.817 120.817 122.172 -1.355 17518
9463 1 17 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.832 -0.010 17518
9464 1 17 . 1 1 69 69 TRP C C 488 176.268 176.268 175.425 0.843 17518
9465 1 17 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.806 1.372 17518
9466 1 17 . 1 1 69 69 TRP CB C 488 32.331 32.331 32.152 0.179 17518
9467 1 17 . 1 1 69 69 TRP H H 488 8.771 8.771 8.577 0.194 17518
9468 1 17 . 1 1 70 70 ASP N N 489 122.179 122.179 119.655 2.524 17518
9469 1 17 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.111 0.085 17518
9470 1 17 . 1 1 70 70 ASP C C 489 175.441 175.441 174.329 1.112 17518
9471 1 17 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.422 -1.077 17518
9472 1 17 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.949 -1.981 17518
9473 1 17 . 1 1 70 70 ASP H H 489 9.795 9.795 9.120 0.675 17518
9474 1 17 . 1 1 71 71 SER N N 490 117.314 117.314 119.735 -2.421 17518
9475 1 17 . 1 1 71 71 SER HA H 490 5.084 5.084 4.469 0.615 17518
9476 1 17 . 1 1 71 71 SER C C 490 175.277 175.277 173.873 1.404 17518
9477 1 17 . 1 1 71 71 SER CA C 490 56.099 56.099 57.039 -0.940 17518
9478 1 17 . 1 1 71 71 SER CB C 490 66.550 66.550 65.657 0.893 17518
9479 1 17 . 1 1 71 71 SER H H 490 9.238 9.238 8.281 0.957 17518
9480 1 17 . 1 1 72 72 ASN N N 491 122.911 122.911 125.438 -2.527 17518
9481 1 17 . 1 1 72 72 ASN HA H 491 4.367 4.367 3.860 0.507 17518
9482 1 17 . 1 1 72 72 ASN C C 491 176.857 176.857 175.147 1.710 17518
9483 1 17 . 1 1 72 72 ASN CA C 491 53.192 53.192 54.216 -1.024 17518
9484 1 17 . 1 1 72 72 ASN CB C 491 35.574 35.574 37.659 -2.085 17518
9485 1 17 . 1 1 72 72 ASN H H 491 8.536 8.536 6.637 1.899 17518
9486 1 17 . 1 1 73 73 ASN N N 492 116.146 116.146 114.683 1.463 17518
9487 1 17 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.416 -0.031 17518
9488 1 17 . 1 1 73 73 ASN C C 492 176.335 176.335 174.427 1.908 17518
9489 1 17 . 1 1 73 73 ASN CA C 492 54.488 54.488 55.745 -1.258 17518
9490 1 17 . 1 1 73 73 ASN CB C 492 37.331 37.331 37.736 -0.405 17518
9491 1 17 . 1 1 73 73 ASN H H 492 9.086 9.086 8.270 0.816 17518
9492 1 17 . 1 1 74 74 THR N N 493 110.420 110.420 111.915 -1.495 17518
9493 1 17 . 1 1 74 74 THR HA H 493 3.779 3.779 4.311 -0.532 17518
9494 1 17 . 1 1 74 74 THR C C 493 173.194 173.194 172.806 0.388 17518
9495 1 17 . 1 1 74 74 THR CA C 493 65.027 65.027 62.978 2.049 17518
9496 1 17 . 1 1 74 74 THR CB C 493 69.730 69.730 68.698 1.032 17518
9497 1 17 . 1 1 74 74 THR H H 493 7.782 7.782 8.334 -0.552 17518
9498 1 17 . 1 1 75 75 LYS N N 494 121.968 121.968 120.608 1.360 17518
9499 1 17 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.452 -0.385 17518
9500 1 17 . 1 1 75 75 LYS C C 494 177.470 177.470 174.870 2.600 17518
9501 1 17 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.093 1.916 17518
9502 1 17 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.862 -3.276 17518
9503 1 17 . 1 1 75 75 LYS H H 494 7.652 7.652 8.635 -0.983 17518
9504 1 17 . 1 1 76 76 ASN N N 495 108.525 108.525 115.711 -7.186 17518
9505 1 17 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.584 -0.654 17518
9506 1 17 . 1 1 76 76 ASN C C 495 172.085 172.085 173.180 -1.095 17518
9507 1 17 . 1 1 76 76 ASN CA C 495 54.413 54.413 53.213 1.200 17518
9508 1 17 . 1 1 76 76 ASN CB C 495 39.048 39.048 40.040 -0.992 17518
9509 1 17 . 1 1 76 76 ASN H H 495 8.197 8.197 7.754 0.443 17518
9510 1 17 . 1 1 77 77 TYR N N 496 118.076 118.076 120.856 -2.780 17518
9511 1 17 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.553 0.240 17518
9512 1 17 . 1 1 77 77 TYR C C 496 175.074 175.074 175.112 -0.038 17518
9513 1 17 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.362 0.309 17518
9514 1 17 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.999 0.786 17518
9515 1 17 . 1 1 77 77 TYR H H 496 9.133 9.133 8.738 0.395 17518
9516 1 17 . 1 1 78 78 SER N N 497 116.400 116.400 114.560 1.840 17518
9517 1 17 . 1 1 78 78 SER HA H 497 5.345 5.345 5.016 0.329 17518
9518 1 17 . 1 1 78 78 SER C C 497 173.130 173.130 172.862 0.268 17518
9519 1 17 . 1 1 78 78 SER CA C 497 57.191 57.191 57.392 -0.201 17518
9520 1 17 . 1 1 78 78 SER CB C 497 64.293 64.293 65.540 -1.246 17518
9521 1 17 . 1 1 78 78 SER H H 497 8.204 8.204 8.094 0.111 17518
9522 1 17 . 1 1 79 79 PHE N N 498 123.023 123.023 123.016 0.007 17518
9523 1 17 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.923 -0.113 17518
9524 1 17 . 1 1 79 79 PHE C C 498 175.275 175.275 174.938 0.337 17518
9525 1 17 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.623 0.384 17518
9526 1 17 . 1 1 79 79 PHE CB C 498 42.989 42.989 42.927 0.062 17518
9527 1 17 . 1 1 79 79 PHE H H 498 9.054 9.054 9.329 -0.275 17518
9528 1 17 . 1 1 80 80 SER N N 499 117.002 117.002 117.995 -0.993 17518
9529 1 17 . 1 1 80 80 SER HA H 499 4.997 4.997 4.981 0.016 17518
9530 1 17 . 1 1 80 80 SER C C 499 173.356 173.356 174.793 -1.437 17518
9531 1 17 . 1 1 80 80 SER CA C 499 57.357 57.357 57.165 0.192 17518
9532 1 17 . 1 1 80 80 SER CB C 499 65.301 65.301 64.813 0.488 17518
9533 1 17 . 1 1 80 80 SER H H 499 8.804 8.804 8.640 0.164 17518
9534 1 17 . 1 1 81 81 THR N N 500 112.529 112.529 114.481 -1.952 17518
9535 1 17 . 1 1 81 81 THR HA H 500 3.820 3.820 3.940 -0.120 17518
9536 1 17 . 1 1 81 81 THR C C 500 174.378 174.378 175.324 -0.946 17518
9537 1 17 . 1 1 81 81 THR CA C 500 64.220 64.220 63.618 0.602 17518
9538 1 17 . 1 1 81 81 THR CB C 500 69.475 69.475 68.843 0.632 17518
9539 1 17 . 1 1 81 81 THR H H 500 7.559 7.559 7.931 -0.372 17518
9540 1 17 . 1 1 82 82 GLY N N 501 112.234 112.234 114.389 -2.155 17518
9541 1 17 . 1 1 82 82 GLY C C 501 174.342 174.342 172.235 2.107 17518
9542 1 17 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.740 -0.945 17518
9543 1 17 . 1 1 82 82 GLY H H 501 8.409 8.409 8.521 -0.112 17518
9544 1 17 . 1 1 83 83 THR N N 502 120.411 120.411 118.802 1.609 17518
9545 1 17 . 1 1 83 83 THR HA H 502 5.487 5.487 5.058 0.429 17518
9546 1 17 . 1 1 83 83 THR C C 502 174.798 174.798 173.448 1.350 17518
9547 1 17 . 1 1 83 83 THR CA C 502 62.497 62.497 60.760 1.737 17518
9548 1 17 . 1 1 83 83 THR CB C 502 69.978 69.978 71.317 -1.339 17518
9549 1 17 . 1 1 83 83 THR H H 502 8.729 8.729 8.103 0.626 17518
9550 1 17 . 1 1 84 84 SER N N 503 123.023 123.023 120.673 2.350 17518
9551 1 17 . 1 1 84 84 SER HA H 503 5.409 5.409 5.186 0.223 17518
9552 1 17 . 1 1 84 84 SER C C 503 171.976 171.976 173.194 -1.218 17518
9553 1 17 . 1 1 84 84 SER CA C 503 58.675 58.675 56.646 2.029 17518
9554 1 17 . 1 1 84 84 SER CB C 503 67.607 67.607 66.597 1.010 17518
9555 1 17 . 1 1 84 84 SER H H 503 9.121 9.121 9.112 0.009 17518
9556 1 17 . 1 1 85 85 THR N N 504 118.388 118.388 118.224 0.164 17518
9557 1 17 . 1 1 85 85 THR HA H 504 5.241 5.241 5.263 -0.022 17518
9558 1 17 . 1 1 85 85 THR C C 504 172.930 172.930 172.820 0.110 17518
9559 1 17 . 1 1 85 85 THR CA C 504 62.672 62.672 62.040 0.632 17518
9560 1 17 . 1 1 85 85 THR CB C 504 70.641 70.641 71.516 -0.875 17518
9561 1 17 . 1 1 85 85 THR H H 504 9.445 9.445 8.773 0.672 17518
9562 1 17 . 1 1 86 86 TYR N N 505 129.195 129.195 128.825 0.370 17518
9563 1 17 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.567 -0.458 17518
9564 1 17 . 1 1 86 86 TYR C C 505 173.063 173.063 173.697 -0.634 17518
9565 1 17 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.562 1.718 17518
9566 1 17 . 1 1 86 86 TYR CB C 505 41.660 41.660 41.816 -0.156 17518
9567 1 17 . 1 1 86 86 TYR H H 505 9.858 9.858 9.743 0.115 17518
9568 1 17 . 1 1 87 87 THR N N 506 124.861 124.861 123.315 1.546 17518
9569 1 17 . 1 1 87 87 THR HA H 506 4.288 4.288 4.727 -0.439 17518
9570 1 17 . 1 1 87 87 THR C C 506 171.472 171.472 171.716 -0.244 17518
9571 1 17 . 1 1 87 87 THR CA C 506 58.917 58.917 58.607 0.310 17518
9572 1 17 . 1 1 87 87 THR CB C 506 70.055 70.055 71.280 -1.225 17518
9573 1 17 . 1 1 87 87 THR H H 506 7.906 7.906 8.941 -1.035 17518
9574 1 17 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.463 -0.457 17518
9575 1 17 . 1 1 88 88 PRO C C 507 176.975 176.975 176.862 0.113 17518
9576 1 17 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.721 0.277 17518
9577 1 17 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.355 0.019 17518
9578 1 17 . 1 1 89 89 GLY N N 508 108.823 108.823 110.416 -1.593 17518
9579 1 17 . 1 1 89 89 GLY C C 508 173.757 173.757 173.543 0.214 17518
9580 1 17 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.433 -0.355 17518
9581 1 17 . 1 1 89 89 GLY H H 508 8.294 8.294 8.535 -0.241 17518
9582 1 17 . 1 1 90 90 ASN N N 509 117.850 117.850 118.553 -0.703 17518
9583 1 17 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.666 0.057 17518
9584 1 17 . 1 1 90 90 ASN C C 509 176.078 176.078 174.888 1.190 17518
9585 1 17 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.365 -0.459 17518
9586 1 17 . 1 1 90 90 ASN CB C 509 39.922 39.922 39.258 0.664 17518
9587 1 17 . 1 1 90 90 ASN H H 509 8.434 8.434 7.895 0.539 17518
9588 1 17 . 1 1 91 91 SER N N 510 114.973 114.973 116.735 -1.762 17518
9589 1 17 . 1 1 91 91 SER HA H 510 4.133 4.133 4.147 -0.014 17518
9590 1 17 . 1 1 91 91 SER C C 510 174.773 174.773 175.955 -1.182 17518
9591 1 17 . 1 1 91 91 SER CA C 510 58.662 58.662 60.573 -1.911 17518
9592 1 17 . 1 1 91 91 SER CB C 510 62.209 62.209 62.234 -0.025 17518
9593 1 17 . 1 1 91 91 SER H H 510 8.819 8.819 8.787 0.032 17518
9594 1 17 . 1 1 92 92 GLY N N 511 108.552 108.552 111.313 -2.761 17518
9595 1 17 . 1 1 92 92 GLY C C 511 174.613 174.613 174.621 -0.008 17518
9596 1 17 . 1 1 92 92 GLY CA C 511 45.263 45.263 46.031 -0.767 17518
9597 1 17 . 1 1 92 92 GLY H H 511 8.472 8.472 8.351 0.121 17518
9598 1 17 . 1 1 93 93 ASN N N 512 119.035 119.035 117.619 1.416 17518
9599 1 17 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.899 -0.129 17518
9600 1 17 . 1 1 93 93 ASN C C 512 174.627 174.627 173.803 0.824 17518
9601 1 17 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.496 0.337 17518
9602 1 17 . 1 1 93 93 ASN CB C 512 39.771 39.771 41.240 -1.469 17518
9603 1 17 . 1 1 93 93 ASN H H 512 7.985 7.985 7.696 0.289 17518
9604 1 17 . 1 1 94 94 ALA N N 513 123.854 123.854 122.983 0.871 17518
9605 1 17 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.640 -0.036 17518
9606 1 17 . 1 1 94 94 ALA C C 513 178.511 178.511 177.024 1.487 17518
9607 1 17 . 1 1 94 94 ALA CA C 513 52.699 52.699 51.993 0.706 17518
9608 1 17 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.040 0.368 17518
9609 1 17 . 1 1 94 94 ALA H H 513 8.442 8.442 8.501 -0.059 17518
9610 1 17 . 1 1 95 95 GLY N N 514 108.880 108.880 111.743 -2.863 17518
9611 1 17 . 1 1 95 95 GLY C C 514 173.104 173.104 174.755 -1.651 17518
9612 1 17 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.685 -0.790 17518
9613 1 17 . 1 1 95 95 GLY H H 514 8.353 8.353 8.310 0.042 17518
9614 1 17 . 1 1 96 96 THR N N 515 110.444 110.444 116.967 -6.523 17518
9615 1 17 . 1 1 96 96 THR HA H 515 4.504 4.504 4.694 -0.190 17518
9616 1 17 . 1 1 96 96 THR C C 515 173.214 173.214 174.193 -0.979 17518
9617 1 17 . 1 1 96 96 THR CA C 515 60.947 60.947 61.146 -0.199 17518
9618 1 17 . 1 1 96 96 THR CB C 515 72.111 72.111 70.487 1.624 17518
9619 1 17 . 1 1 96 96 THR H H 515 7.839 7.839 8.577 -0.738 17518
9620 1 17 . 1 1 97 97 ILE N N 516 126.770 126.770 124.124 2.646 17518
9621 1 17 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.410 -0.439 17518
9622 1 17 . 1 1 97 97 ILE C C 516 176.061 176.061 176.284 -0.223 17518
9623 1 17 . 1 1 97 97 ILE CA C 516 61.045 61.045 60.053 0.992 17518
9624 1 17 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.733 -0.991 17518
9625 1 17 . 1 1 97 97 ILE H H 516 8.733 8.733 8.505 0.228 17518
9626 1 17 . 1 1 98 98 THR N N 517 121.307 121.307 118.400 2.907 17518
9627 1 17 . 1 1 98 98 THR HA H 517 4.693 4.693 4.809 -0.116 17518
9628 1 17 . 1 1 98 98 THR C C 517 173.622 173.622 173.846 -0.224 17518
9629 1 17 . 1 1 98 98 THR CA C 517 59.692 59.692 60.029 -0.337 17518
9630 1 17 . 1 1 98 98 THR CB C 517 71.290 71.290 71.283 0.007 17518
9631 1 17 . 1 1 98 98 THR H H 517 9.270 9.270 9.038 0.232 17518
9632 1 17 . 1 1 99 99 SER N N 518 118.544 118.544 117.955 0.589 17518
9633 1 17 . 1 1 99 99 SER HA H 518 4.548 4.548 4.706 -0.158 17518
9634 1 17 . 1 1 99 99 SER C C 518 175.405 175.405 173.954 1.451 17518
9635 1 17 . 1 1 99 99 SER CA C 518 59.662 59.662 57.833 1.829 17518
9636 1 17 . 1 1 99 99 SER CB C 518 63.836 63.836 62.331 1.505 17518
9637 1 17 . 1 1 99 99 SER H H 518 8.667 8.667 8.607 0.060 17518
9638 1 17 . 1 1 100 100 GLY N N 519 113.982 113.982 110.985 2.997 17518
9639 1 17 . 1 1 100 100 GLY C C 519 171.714 171.714 172.985 -1.271 17518
9640 1 17 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.553 -0.480 17518
9641 1 17 . 1 1 100 100 GLY H H 519 8.443 8.443 7.551 0.891 17518
9642 1 17 . 1 1 101 101 ALA N N 520 120.741 120.741 125.837 -5.096 17518
9643 1 17 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.743 -1.136 17518
9644 1 17 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.803 -1.340 17518
9645 1 17 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.049 -0.918 17518
9646 1 17 . 1 1 101 101 ALA H H 520 7.908 7.908 8.297 -0.389 17518
9647 1 17 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.369 -0.327 17518
9648 1 17 . 1 1 102 102 PRO C C 521 175.467 175.467 176.310 -0.843 17518
9649 1 17 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.767 -0.069 17518
9650 1 17 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.240 -0.376 17518
9651 1 17 . 1 1 103 103 ALA N N 522 122.930 122.930 126.046 -3.116 17518
9652 1 17 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.447 -0.334 17518
9653 1 17 . 1 1 103 103 ALA C C 522 177.009 177.009 177.623 -0.614 17518
9654 1 17 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.698 0.258 17518
9655 1 17 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.195 1.494 17518
9656 1 17 . 1 1 103 103 ALA H H 522 7.993 7.993 8.399 -0.406 17518
9657 1 18 . 1 1 2 2 GLY C C 421 174.167 174.167 174.205 -0.038 17518
9658 1 18 . 1 1 2 2 GLY CA C 421 45.259 45.259 44.721 0.538 17518
9659 1 18 . 1 1 3 3 THR N N 422 113.380 113.380 110.265 3.115 17518
9660 1 18 . 1 1 3 3 THR HA H 422 4.348 4.348 4.490 -0.142 17518
9661 1 18 . 1 1 3 3 THR C C 422 174.773 174.773 174.468 0.305 17518
9662 1 18 . 1 1 3 3 THR CA C 422 61.357 61.357 61.039 0.318 17518
9663 1 18 . 1 1 3 3 THR CB C 422 69.791 69.791 70.953 -1.162 17518
9664 1 18 . 1 1 3 3 THR H H 422 8.099 8.099 7.856 0.243 17518
9665 1 18 . 1 1 4 4 GLY N N 423 113.124 113.124 112.043 1.081 17518
9666 1 18 . 1 1 4 4 GLY C C 423 173.909 173.909 174.125 -0.216 17518
9667 1 18 . 1 1 4 4 GLY CA C 423 45.058 45.058 45.154 -0.096 17518
9668 1 18 . 1 1 4 4 GLY H H 423 8.770 8.770 8.807 -0.037 17518
9669 1 18 . 1 1 5 5 ASN N N 424 121.226 121.226 118.488 2.738 17518
9670 1 18 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.936 -0.362 17518
9671 1 18 . 1 1 5 5 ASN C C 424 174.450 174.450 173.738 0.712 17518
9672 1 18 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.705 0.532 17518
9673 1 18 . 1 1 5 5 ASN CB C 424 38.520 38.520 41.650 -3.130 17518
9674 1 18 . 1 1 5 5 ASN H H 424 8.988 8.988 8.148 0.840 17518
9675 1 18 . 1 1 6 6 LYS N N 425 119.587 119.587 120.598 -1.011 17518
9676 1 18 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.545 0.584 17518
9677 1 18 . 1 1 6 6 LYS C C 425 176.281 176.281 174.581 1.700 17518
9678 1 18 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.291 -0.897 17518
9679 1 18 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.859 -0.411 17518
9680 1 18 . 1 1 6 6 LYS H H 425 8.354 8.354 8.408 -0.054 17518
9681 1 18 . 1 1 7 7 VAL N N 426 124.203 124.203 125.325 -1.122 17518
9682 1 18 . 1 1 7 7 VAL HA H 426 4.462 4.462 5.006 -0.544 17518
9683 1 18 . 1 1 7 7 VAL C C 426 174.564 174.564 174.772 -0.208 17518
9684 1 18 . 1 1 7 7 VAL CA C 426 61.369 61.369 61.046 0.323 17518
9685 1 18 . 1 1 7 7 VAL CB C 426 34.432 34.432 34.736 -0.304 17518
9686 1 18 . 1 1 7 7 VAL H H 426 8.774 8.774 8.739 0.035 17518
9687 1 18 . 1 1 8 8 THR N N 427 125.363 125.363 123.477 1.886 17518
9688 1 18 . 1 1 8 8 THR HA H 427 5.326 5.326 5.374 -0.048 17518
9689 1 18 . 1 1 8 8 THR C C 427 173.108 173.108 173.792 -0.684 17518
9690 1 18 . 1 1 8 8 THR CA C 427 61.752 61.752 61.097 0.655 17518
9691 1 18 . 1 1 8 8 THR CB C 427 69.860 69.860 70.657 -0.797 17518
9692 1 18 . 1 1 8 8 THR H H 427 8.851 8.851 9.265 -0.414 17518
9693 1 18 . 1 1 9 9 ILE N N 428 127.015 127.015 125.384 1.631 17518
9694 1 18 . 1 1 9 9 ILE HA H 428 4.656 4.656 5.176 -0.520 17518
9695 1 18 . 1 1 9 9 ILE C C 428 175.404 175.404 174.269 1.135 17518
9696 1 18 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.344 -0.464 17518
9697 1 18 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.861 1.330 17518
9698 1 18 . 1 1 9 9 ILE H H 428 8.628 8.628 9.203 -0.575 17518
9699 1 18 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.481 -0.312 17518
9700 1 18 . 1 1 10 10 TYR C C 429 174.161 174.161 174.952 -0.791 17518
9701 1 18 . 1 1 10 10 TYR CA C 429 57.251 57.251 55.862 1.389 17518
9702 1 18 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.626 0.757 17518
9703 1 18 . 1 1 10 10 TYR H H 429 9.069 9.069 9.640 -0.571 17518
9704 1 18 . 1 1 11 11 TYR N N 430 125.905 125.905 126.324 -0.419 17518
9705 1 18 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.777 -0.787 17518
9706 1 18 . 1 1 11 11 TYR C C 430 173.359 173.359 174.340 -0.981 17518
9707 1 18 . 1 1 11 11 TYR CA C 430 56.630 56.630 54.696 1.935 17518
9708 1 18 . 1 1 11 11 TYR CB C 430 42.942 42.942 42.097 0.845 17518
9709 1 18 . 1 1 11 11 TYR H H 430 9.500 9.500 8.910 0.590 17518
9710 1 18 . 1 1 12 12 LYS N N 431 131.688 131.688 125.780 5.908 17518
9711 1 18 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.642 0.720 17518
9712 1 18 . 1 1 12 12 LYS C C 431 172.929 172.929 174.654 -1.725 17518
9713 1 18 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.052 0.815 17518
9714 1 18 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.509 0.662 17518
9715 1 18 . 1 1 12 12 LYS H H 431 8.410 8.410 7.872 0.538 17518
9716 1 18 . 1 1 13 13 LYS N N 432 125.124 125.124 126.248 -1.124 17518
9717 1 18 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.867 0.005 17518
9718 1 18 . 1 1 13 13 LYS C C 432 180.107 180.107 176.086 4.021 17518
9719 1 18 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.705 -4.197 17518
9720 1 18 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.217 -0.562 17518
9721 1 18 . 1 1 14 14 GLY N N 433 112.761 112.761 112.458 0.303 17518
9722 1 18 . 1 1 14 14 GLY C C 433 174.180 174.180 174.259 -0.079 17518
9723 1 18 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.593 0.749 17518
9724 1 18 . 1 1 14 14 GLY H H 433 7.585 7.585 8.523 -0.938 17518
9725 1 18 . 1 1 15 15 PHE N N 434 121.529 121.529 121.207 0.322 17518
9726 1 18 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.857 -0.166 17518
9727 1 18 . 1 1 15 15 PHE C C 434 175.899 175.899 175.185 0.714 17518
9728 1 18 . 1 1 15 15 PHE CA C 434 57.157 57.157 58.701 -1.544 17518
9729 1 18 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.392 -1.920 17518
9730 1 18 . 1 1 15 15 PHE H H 434 8.454 8.454 8.316 0.138 17518
9731 1 18 . 1 1 16 16 ASN N N 435 117.583 117.583 113.871 3.712 17518
9732 1 18 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.640 -0.241 17518
9733 1 18 . 1 1 16 16 ASN C C 435 176.259 176.259 173.657 2.602 17518
9734 1 18 . 1 1 16 16 ASN CA C 435 56.521 56.521 53.605 2.916 17518
9735 1 18 . 1 1 16 16 ASN CB C 435 39.366 39.366 37.989 1.377 17518
9736 1 18 . 1 1 16 16 ASN H H 435 8.513 8.513 8.453 0.060 17518
9737 1 18 . 1 1 17 17 SER N N 436 112.889 112.889 114.957 -2.068 17518
9738 1 18 . 1 1 17 17 SER HA H 436 4.798 4.798 4.803 -0.005 17518
9739 1 18 . 1 1 17 17 SER C C 436 171.151 171.151 171.323 -0.172 17518
9740 1 18 . 1 1 17 17 SER CA C 436 53.721 53.721 56.572 -2.851 17518
9741 1 18 . 1 1 17 17 SER CB C 436 63.834 63.834 64.114 -0.280 17518
9742 1 18 . 1 1 17 17 SER H H 436 8.315 8.315 8.019 0.296 17518
9743 1 18 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.472 0.090 17518
9744 1 18 . 1 1 18 18 PRO C C 437 175.812 175.812 175.483 0.329 17518
9745 1 18 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.584 0.033 17518
9746 1 18 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.578 0.196 17518
9747 1 18 . 1 1 19 19 TYR N N 438 122.060 122.060 117.070 4.990 17518
9748 1 18 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.875 -0.045 17518
9749 1 18 . 1 1 19 19 TYR C C 438 174.732 174.732 174.897 -0.165 17518
9750 1 18 . 1 1 19 19 TYR CA C 438 56.729 56.729 57.034 -0.305 17518
9751 1 18 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.128 -0.370 17518
9752 1 18 . 1 1 19 19 TYR H H 438 9.072 9.072 8.330 0.742 17518
9753 1 18 . 1 1 20 20 ILE N N 439 118.018 118.018 120.097 -2.079 17518
9754 1 18 . 1 1 20 20 ILE HA H 439 4.988 4.988 5.123 -0.135 17518
9755 1 18 . 1 1 20 20 ILE C C 439 171.341 171.341 174.692 -3.351 17518
9756 1 18 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.493 -0.920 17518
9757 1 18 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.399 0.259 17518
9758 1 18 . 1 1 20 20 ILE H H 439 9.164 9.164 9.149 0.015 17518
9759 1 18 . 1 1 21 21 HIS N N 440 133.346 133.346 130.122 3.224 17518
9760 1 18 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.881 0.494 17518
9761 1 18 . 1 1 21 21 HIS C C 440 174.947 174.947 173.790 1.157 17518
9762 1 18 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.074 -0.273 17518
9763 1 18 . 1 1 21 21 HIS CB C 440 35.001 35.001 31.474 3.527 17518
9764 1 18 . 1 1 21 21 HIS H H 440 8.843 8.843 8.676 0.167 17518
9765 1 18 . 1 1 22 22 TYR N N 441 121.863 121.863 123.919 -2.056 17518
9766 1 18 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.541 0.516 17518
9767 1 18 . 1 1 22 22 TYR C C 441 173.567 173.567 173.524 0.043 17518
9768 1 18 . 1 1 22 22 TYR CA C 441 56.693 56.693 54.807 1.886 17518
9769 1 18 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.313 1.483 17518
9770 1 18 . 1 1 22 22 TYR H H 441 8.231 8.231 7.833 0.398 17518
9771 1 18 . 1 1 23 23 ARG N N 442 116.788 116.788 122.995 -6.207 17518
9772 1 18 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.761 -0.130 17518
9773 1 18 . 1 1 23 23 ARG CA C 442 52.360 52.360 51.742 0.618 17518
9774 1 18 . 1 1 23 23 ARG CB C 442 32.314 32.314 32.975 -0.661 17518
9775 1 18 . 1 1 23 23 ARG H H 442 8.456 8.456 8.831 -0.375 17518
9776 1 18 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.508 -0.001 17518
9777 1 18 . 1 1 24 24 PRO C C 443 176.258 176.258 175.908 0.350 17518
9778 1 18 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.958 0.286 17518
9779 1 18 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.249 -0.052 17518
9780 1 18 . 1 1 25 25 ALA N N 444 125.666 125.666 125.879 -0.213 17518
9781 1 18 . 1 1 25 25 ALA HA H 444 3.958 3.958 4.051 -0.093 17518
9782 1 18 . 1 1 25 25 ALA C C 444 179.221 179.221 177.681 1.540 17518
9783 1 18 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.167 1.013 17518
9784 1 18 . 1 1 25 25 ALA CB C 444 18.420 18.420 18.102 0.318 17518
9785 1 18 . 1 1 25 25 ALA H H 444 8.230 8.230 8.197 0.033 17518
9786 1 18 . 1 1 26 26 GLY N N 445 112.217 112.217 110.056 2.161 17518
9787 1 18 . 1 1 26 26 GLY C C 445 174.734 174.734 174.401 0.333 17518
9788 1 18 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.639 1.023 17518
9789 1 18 . 1 1 26 26 GLY H H 445 8.591 8.591 7.939 0.652 17518
9790 1 18 . 1 1 27 27 GLY N N 446 109.489 109.489 108.410 1.079 17518
9791 1 18 . 1 1 27 27 GLY C C 446 173.379 173.379 173.094 0.285 17518
9792 1 18 . 1 1 27 27 GLY CA C 446 44.117 44.117 43.840 0.277 17518
9793 1 18 . 1 1 27 27 GLY H H 446 8.380 8.380 8.508 -0.128 17518
9794 1 18 . 1 1 28 28 SER N N 447 117.275 117.275 114.255 3.020 17518
9795 1 18 . 1 1 28 28 SER HA H 447 4.637 4.637 4.713 -0.075 17518
9796 1 18 . 1 1 28 28 SER C C 447 173.759 173.759 173.664 0.095 17518
9797 1 18 . 1 1 28 28 SER CA C 447 57.410 57.410 57.688 -0.278 17518
9798 1 18 . 1 1 28 28 SER CB C 447 65.022 65.022 65.664 -0.642 17518
9799 1 18 . 1 1 28 28 SER H H 447 8.585 8.585 8.242 0.343 17518
9800 1 18 . 1 1 29 29 TRP N N 448 123.426 123.426 120.730 2.696 17518
9801 1 18 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.572 -0.179 17518
9802 1 18 . 1 1 29 29 TRP C C 448 178.997 178.997 177.447 1.550 17518
9803 1 18 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.521 0.645 17518
9804 1 18 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.397 0.209 17518
9805 1 18 . 1 1 29 29 TRP H H 448 8.346 8.346 8.596 -0.250 17518
9806 1 18 . 1 1 30 30 THR N N 449 111.168 111.168 116.191 -5.023 17518
9807 1 18 . 1 1 30 30 THR HA H 449 3.978 3.978 4.251 -0.273 17518
9808 1 18 . 1 1 30 30 THR C C 449 174.707 174.707 174.172 0.535 17518
9809 1 18 . 1 1 30 30 THR CA C 449 61.317 61.317 62.064 -0.747 17518
9810 1 18 . 1 1 30 30 THR CB C 449 70.526 70.526 69.051 1.475 17518
9811 1 18 . 1 1 30 30 THR H H 449 7.888 7.888 8.377 -0.489 17518
9812 1 18 . 1 1 31 31 ALA N N 450 122.982 122.982 123.596 -0.614 17518
9813 1 18 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.305 0.094 17518
9814 1 18 . 1 1 31 31 ALA C C 450 178.443 178.443 176.288 2.155 17518
9815 1 18 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.137 0.747 17518
9816 1 18 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.624 -0.563 17518
9817 1 18 . 1 1 31 31 ALA H H 450 8.383 8.383 8.325 0.058 17518
9818 1 18 . 1 1 32 32 ALA N N 451 129.780 129.780 127.101 2.679 17518
9819 1 18 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.049 -0.191 17518
9820 1 18 . 1 1 32 32 ALA C C 451 175.997 175.997 175.635 0.362 17518
9821 1 18 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.443 1.368 17518
9822 1 18 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.543 -2.297 17518
9823 1 18 . 1 1 32 32 ALA H H 451 8.778 8.778 8.178 0.600 17518
9824 1 18 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.142 -0.298 17518
9825 1 18 . 1 1 33 33 PRO C C 452 173.297 173.297 176.826 -3.529 17518
9826 1 18 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.194 1.538 17518
9827 1 18 . 1 1 33 33 PRO CB C 452 33.646 33.646 31.988 1.657 17518
9828 1 18 . 1 1 34 34 GLY N N 453 112.150 112.150 112.979 -0.829 17518
9829 1 18 . 1 1 34 34 GLY C C 453 174.011 174.011 173.636 0.375 17518
9830 1 18 . 1 1 34 34 GLY CA C 453 43.995 43.995 46.067 -2.072 17518
9831 1 18 . 1 1 34 34 GLY H H 453 8.685 8.685 7.571 1.114 17518
9832 1 18 . 1 1 35 35 VAL N N 454 123.276 123.276 120.204 3.072 17518
9833 1 18 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.359 -0.013 17518
9834 1 18 . 1 1 35 35 VAL C C 454 174.782 174.782 175.226 -0.444 17518
9835 1 18 . 1 1 35 35 VAL CA C 454 60.959 60.959 60.633 0.326 17518
9836 1 18 . 1 1 35 35 VAL CB C 454 34.857 34.857 36.147 -1.290 17518
9837 1 18 . 1 1 35 35 VAL H H 454 9.287 9.287 8.310 0.977 17518
9838 1 18 . 1 1 36 36 LYS N N 455 128.135 128.135 128.546 -0.411 17518
9839 1 18 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.189 -1.128 17518
9840 1 18 . 1 1 36 36 LYS C C 455 176.438 176.438 176.254 0.184 17518
9841 1 18 . 1 1 36 36 LYS CA C 455 57.223 57.223 57.075 0.147 17518
9842 1 18 . 1 1 36 36 LYS CB C 455 32.619 32.619 32.211 0.408 17518
9843 1 18 . 1 1 36 36 LYS H H 455 8.443 8.443 8.587 -0.144 17518
9844 1 18 . 1 1 37 37 MET N N 456 124.850 124.850 127.498 -2.648 17518
9845 1 18 . 1 1 37 37 MET HA H 456 4.207 4.207 4.226 -0.019 17518
9846 1 18 . 1 1 37 37 MET C C 456 175.590 175.590 176.123 -0.533 17518
9847 1 18 . 1 1 37 37 MET CA C 456 56.409 56.409 57.233 -0.824 17518
9848 1 18 . 1 1 37 37 MET CB C 456 34.978 34.978 32.484 2.494 17518
9849 1 18 . 1 1 37 37 MET H H 456 8.121 8.121 8.491 -0.370 17518
9850 1 18 . 1 1 38 38 GLN N N 457 121.555 121.555 122.568 -1.013 17518
9851 1 18 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.111 0.282 17518
9852 1 18 . 1 1 38 38 GLN C C 457 175.737 175.737 175.365 0.372 17518
9853 1 18 . 1 1 38 38 GLN CA C 457 54.783 54.783 55.962 -1.179 17518
9854 1 18 . 1 1 38 38 GLN CB C 457 30.307 30.307 28.871 1.436 17518
9855 1 18 . 1 1 38 38 GLN H H 457 8.441 8.441 8.630 -0.189 17518
9856 1 18 . 1 1 39 39 ASP N N 458 121.629 121.629 118.188 3.441 17518
9857 1 18 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.915 -0.184 17518
9858 1 18 . 1 1 39 39 ASP C C 458 176.733 176.733 175.265 1.468 17518
9859 1 18 . 1 1 39 39 ASP CA C 458 56.257 56.257 53.721 2.536 17518
9860 1 18 . 1 1 39 39 ASP CB C 458 40.358 40.358 41.333 -0.975 17518
9861 1 18 . 1 1 39 39 ASP H H 458 8.720 8.720 8.494 0.226 17518
9862 1 18 . 1 1 40 40 ALA N N 459 122.646 122.646 125.708 -3.062 17518
9863 1 18 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.713 -0.421 17518
9864 1 18 . 1 1 40 40 ALA C C 459 175.201 175.201 178.120 -2.919 17518
9865 1 18 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.190 0.366 17518
9866 1 18 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.913 2.035 17518
9867 1 18 . 1 1 40 40 ALA H H 459 8.423 8.423 8.744 -0.321 17518
9868 1 18 . 1 1 41 41 GLU N N 460 120.190 120.190 127.223 -7.033 17518
9869 1 18 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.972 0.335 17518
9870 1 18 . 1 1 41 41 GLU C C 460 174.722 174.722 178.215 -3.493 17518
9871 1 18 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.330 -0.811 17518
9872 1 18 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.233 -1.897 17518
9873 1 18 . 1 1 41 41 GLU H H 460 10.341 10.341 9.003 1.338 17518
9874 1 18 . 1 1 42 42 ILE N N 461 119.473 119.473 118.750 0.723 17518
9875 1 18 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.672 0.639 17518
9876 1 18 . 1 1 42 42 ILE C C 461 174.959 174.959 176.399 -1.440 17518
9877 1 18 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.747 -4.781 17518
9878 1 18 . 1 1 42 42 ILE CB C 461 39.745 39.745 38.142 1.603 17518
9879 1 18 . 1 1 42 42 ILE H H 461 6.466 6.466 7.770 -1.304 17518
9880 1 18 . 1 1 43 43 SER N N 462 121.292 121.292 111.439 9.853 17518
9881 1 18 . 1 1 43 43 SER HA H 462 4.297 4.297 4.504 -0.207 17518
9882 1 18 . 1 1 43 43 SER C C 462 175.624 175.624 173.803 1.821 17518
9883 1 18 . 1 1 43 43 SER CA C 462 60.112 60.112 58.343 1.769 17518
9884 1 18 . 1 1 43 43 SER CB C 462 63.116 63.116 63.287 -0.171 17518
9885 1 18 . 1 1 43 43 SER H H 462 8.584 8.584 7.661 0.923 17518
9886 1 18 . 1 1 44 44 GLY N N 463 111.896 111.896 107.686 4.210 17518
9887 1 18 . 1 1 44 44 GLY C C 463 173.823 173.823 173.106 0.717 17518
9888 1 18 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.581 -0.702 17518
9889 1 18 . 1 1 44 44 GLY H H 463 8.623 8.623 8.177 0.446 17518
9890 1 18 . 1 1 45 45 TYR N N 464 116.379 116.379 120.433 -4.054 17518
9891 1 18 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.690 1.008 17518
9892 1 18 . 1 1 45 45 TYR C C 464 175.693 175.693 173.803 1.890 17518
9893 1 18 . 1 1 45 45 TYR CA C 464 56.612 56.612 57.008 -0.396 17518
9894 1 18 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.483 -0.559 17518
9895 1 18 . 1 1 45 45 TYR H H 464 7.803 7.803 8.168 -0.365 17518
9896 1 18 . 1 1 46 46 ALA N N 465 126.206 126.206 120.560 5.646 17518
9897 1 18 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.430 -0.093 17518
9898 1 18 . 1 1 46 46 ALA C C 465 176.129 176.129 175.711 0.418 17518
9899 1 18 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.927 0.529 17518
9900 1 18 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.225 2.121 17518
9901 1 18 . 1 1 46 46 ALA H H 465 9.910 9.910 9.176 0.734 17518
9902 1 18 . 1 1 47 47 LYS N N 466 120.226 120.226 121.891 -1.665 17518
9903 1 18 . 1 1 47 47 LYS HA H 466 5.672 5.672 4.790 0.882 17518
9904 1 18 . 1 1 47 47 LYS C C 466 173.880 173.880 174.417 -0.537 17518
9905 1 18 . 1 1 47 47 LYS CA C 466 55.406 55.406 54.921 0.485 17518
9906 1 18 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.603 0.557 17518
9907 1 18 . 1 1 47 47 LYS H H 466 9.373 9.373 8.265 1.108 17518
9908 1 18 . 1 1 48 48 ILE N N 467 120.505 120.505 122.374 -1.869 17518
9909 1 18 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.357 0.046 17518
9910 1 18 . 1 1 48 48 ILE C C 467 171.247 171.247 173.065 -1.818 17518
9911 1 18 . 1 1 48 48 ILE CA C 467 60.382 60.382 61.182 -0.800 17518
9912 1 18 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.426 0.108 17518
9913 1 18 . 1 1 48 48 ILE H H 467 8.085 8.085 8.312 -0.227 17518
9914 1 18 . 1 1 49 49 THR N N 468 122.247 122.247 124.868 -2.621 17518
9915 1 18 . 1 1 49 49 THR HA H 468 5.301 5.301 5.121 0.180 17518
9916 1 18 . 1 1 49 49 THR C C 468 173.694 173.694 173.445 0.249 17518
9917 1 18 . 1 1 49 49 THR CA C 468 61.871 61.871 61.399 0.472 17518
9918 1 18 . 1 1 49 49 THR CB C 468 70.649 70.649 70.216 0.433 17518
9919 1 18 . 1 1 49 49 THR H H 468 7.954 7.954 8.192 -0.238 17518
9920 1 18 . 1 1 50 50 VAL N N 469 126.076 126.076 125.951 0.125 17518
9921 1 18 . 1 1 50 50 VAL HA H 469 4.111 4.111 3.911 0.200 17518
9922 1 18 . 1 1 50 50 VAL C C 469 173.826 173.826 174.119 -0.293 17518
9923 1 18 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.545 -0.346 17518
9924 1 18 . 1 1 50 50 VAL CB C 469 35.049 35.049 34.941 0.107 17518
9925 1 18 . 1 1 50 50 VAL H H 469 9.242 9.242 8.997 0.245 17518
9926 1 18 . 1 1 51 51 ASP N N 470 126.346 126.346 125.817 0.529 17518
9927 1 18 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.767 0.146 17518
9928 1 18 . 1 1 51 51 ASP C C 470 177.013 177.013 176.304 0.709 17518
9929 1 18 . 1 1 51 51 ASP CA C 470 53.014 53.014 53.853 -0.839 17518
9930 1 18 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.230 -0.311 17518
9931 1 18 . 1 1 51 51 ASP H H 470 8.476 8.476 8.511 -0.035 17518
9932 1 18 . 1 1 52 52 ILE N N 471 118.935 118.935 116.748 2.187 17518
9933 1 18 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.567 -0.029 17518
9934 1 18 . 1 1 52 52 ILE C C 471 176.991 176.991 176.819 0.172 17518
9935 1 18 . 1 1 52 52 ILE CA C 471 59.992 59.992 60.753 -0.761 17518
9936 1 18 . 1 1 52 52 ILE CB C 471 38.002 38.002 40.040 -2.038 17518
9937 1 18 . 1 1 52 52 ILE H H 471 8.728 8.728 8.468 0.260 17518
9938 1 18 . 1 1 53 53 GLY N N 472 114.498 114.498 110.817 3.681 17518
9939 1 18 . 1 1 53 53 GLY C C 472 174.971 174.971 175.713 -0.742 17518
9940 1 18 . 1 1 53 53 GLY CA C 472 47.668 47.668 47.247 0.421 17518
9941 1 18 . 1 1 53 53 GLY H H 472 9.078 9.078 8.278 0.800 17518
9942 1 18 . 1 1 54 54 SER N N 473 120.546 120.546 121.134 -0.588 17518
9943 1 18 . 1 1 54 54 SER HA H 473 4.426 4.426 4.527 -0.101 17518
9944 1 18 . 1 1 54 54 SER C C 473 174.975 174.975 174.134 0.841 17518
9945 1 18 . 1 1 54 54 SER CA C 473 58.417 58.417 57.801 0.616 17518
9946 1 18 . 1 1 54 54 SER CB C 473 63.632 63.632 64.283 -0.651 17518
9947 1 18 . 1 1 54 54 SER H H 473 8.808 8.808 8.143 0.665 17518
9948 1 18 . 1 1 55 55 ALA N N 474 125.402 125.402 125.218 0.184 17518
9949 1 18 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.221 0.145 17518
9950 1 18 . 1 1 55 55 ALA C C 474 176.116 176.116 177.669 -1.553 17518
9951 1 18 . 1 1 55 55 ALA CA C 474 52.372 52.372 53.112 -0.740 17518
9952 1 18 . 1 1 55 55 ALA CB C 474 20.315 20.315 19.273 1.042 17518
9953 1 18 . 1 1 55 55 ALA H H 474 7.738 7.738 7.752 -0.014 17518
9954 1 18 . 1 1 56 56 SER N N 475 110.149 110.149 117.825 -7.676 17518
9955 1 18 . 1 1 56 56 SER HA H 475 4.539 4.539 4.255 0.284 17518
9956 1 18 . 1 1 56 56 SER C C 475 173.662 173.662 174.069 -0.407 17518
9957 1 18 . 1 1 56 56 SER CA C 475 58.121 58.121 60.258 -2.137 17518
9958 1 18 . 1 1 56 56 SER CB C 475 65.000 65.000 63.602 1.398 17518
9959 1 18 . 1 1 56 56 SER H H 475 8.756 8.756 8.720 0.036 17518
9960 1 18 . 1 1 57 57 GLN N N 476 117.023 117.023 116.500 0.523 17518
9961 1 18 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.898 0.160 17518
9962 1 18 . 1 1 57 57 GLN C C 476 173.042 173.042 173.373 -0.331 17518
9963 1 18 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.160 -0.936 17518
9964 1 18 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.664 -0.055 17518
9965 1 18 . 1 1 57 57 GLN H H 476 7.139 7.139 7.449 -0.310 17518
9966 1 18 . 1 1 58 58 LEU N N 477 121.156 121.156 120.863 0.293 17518
9967 1 18 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.036 -0.290 17518
9968 1 18 . 1 1 58 58 LEU C C 477 173.922 173.922 174.273 -0.351 17518
9969 1 18 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.253 -0.745 17518
9970 1 18 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.663 0.618 17518
9971 1 18 . 1 1 58 58 LEU H H 477 9.149 9.149 9.310 -0.161 17518
9972 1 18 . 1 1 59 59 GLU N N 478 126.375 126.375 123.257 3.118 17518
9973 1 18 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.366 -0.010 17518
9974 1 18 . 1 1 59 59 GLU C C 478 175.481 175.481 175.461 0.020 17518
9975 1 18 . 1 1 59 59 GLU CA C 478 54.597 54.597 55.406 -0.809 17518
9976 1 18 . 1 1 59 59 GLU CB C 478 32.759 32.759 32.556 0.203 17518
9977 1 18 . 1 1 59 59 GLU H H 478 8.558 8.558 9.144 -0.586 17518
9978 1 18 . 1 1 60 60 ALA N N 479 124.321 124.321 125.114 -0.793 17518
9979 1 18 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.648 0.144 17518
9980 1 18 . 1 1 60 60 ALA C C 479 174.955 174.955 175.359 -0.404 17518
9981 1 18 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.565 0.576 17518
9982 1 18 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.217 1.877 17518
9983 1 18 . 1 1 60 60 ALA H H 479 9.614 9.614 8.915 0.699 17518
9984 1 18 . 1 1 61 61 ALA N N 480 120.954 120.954 121.673 -0.719 17518
9985 1 18 . 1 1 61 61 ALA HA H 480 4.794 4.794 4.898 -0.104 17518
9986 1 18 . 1 1 61 61 ALA C C 480 174.782 174.782 175.081 -0.299 17518
9987 1 18 . 1 1 61 61 ALA CA C 480 51.257 51.257 51.222 0.035 17518
9988 1 18 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.672 0.542 17518
9989 1 18 . 1 1 61 61 ALA H H 480 9.346 9.346 8.545 0.801 17518
9990 1 18 . 1 1 62 62 PHE N N 481 117.021 117.021 121.249 -4.228 17518
9991 1 18 . 1 1 62 62 PHE HA H 481 5.884 5.884 5.283 0.601 17518
9992 1 18 . 1 1 62 62 PHE C C 481 175.044 175.044 173.373 1.671 17518
9993 1 18 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.269 1.319 17518
9994 1 18 . 1 1 62 62 PHE CB C 481 43.263 43.263 43.193 0.070 17518
9995 1 18 . 1 1 62 62 PHE H H 481 8.351 8.351 8.650 -0.299 17518
9996 1 18 . 1 1 63 63 ASN N N 482 116.362 116.362 120.472 -4.110 17518
9997 1 18 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.831 0.277 17518
9998 1 18 . 1 1 63 63 ASN C C 482 172.088 172.088 173.155 -1.067 17518
9999 1 18 . 1 1 63 63 ASN CA C 482 53.710 53.710 52.267 1.443 17518
10000 1 18 . 1 1 63 63 ASN CB C 482 41.348 41.348 42.142 -0.794 17518
10001 1 18 . 1 1 63 63 ASN H H 482 9.077 9.077 8.505 0.572 17518
10002 1 18 . 1 1 64 64 ASP N N 483 118.002 118.002 118.932 -0.930 17518
10003 1 18 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.456 -0.272 17518
10004 1 18 . 1 1 64 64 ASP C C 483 177.271 177.271 174.783 2.488 17518
10005 1 18 . 1 1 64 64 ASP CA C 483 52.301 52.301 52.019 0.282 17518
10006 1 18 . 1 1 64 64 ASP CB C 483 40.887 40.887 40.339 0.548 17518
10007 1 18 . 1 1 64 64 ASP H H 483 7.482 7.482 8.058 -0.576 17518
10008 1 18 . 1 1 65 65 GLY N N 484 110.602 110.602 109.151 1.451 17518
10009 1 18 . 1 1 65 65 GLY C C 484 173.156 173.156 172.743 0.413 17518
10010 1 18 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.267 0.348 17518
10011 1 18 . 1 1 65 65 GLY H H 484 8.696 8.696 8.309 0.387 17518
10012 1 18 . 1 1 66 66 ASN N N 485 120.867 120.867 117.317 3.550 17518
10013 1 18 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.109 0.595 17518
10014 1 18 . 1 1 66 66 ASN C C 485 174.442 174.442 174.398 0.044 17518
10015 1 18 . 1 1 66 66 ASN CA C 485 52.311 52.311 53.341 -1.030 17518
10016 1 18 . 1 1 66 66 ASN CB C 485 39.491 39.491 37.739 1.752 17518
10017 1 18 . 1 1 66 66 ASN H H 485 8.371 8.371 8.091 0.280 17518
10018 1 18 . 1 1 67 67 ASN N N 486 113.518 113.518 118.692 -5.174 17518
10019 1 18 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.772 -0.594 17518
10020 1 18 . 1 1 67 67 ASN C C 486 173.845 173.845 174.414 -0.569 17518
10021 1 18 . 1 1 67 67 ASN CA C 486 54.486 54.486 54.481 0.005 17518
10022 1 18 . 1 1 67 67 ASN CB C 486 38.267 38.267 38.636 -0.369 17518
10023 1 18 . 1 1 67 67 ASN H H 486 8.700 8.700 8.401 0.299 17518
10024 1 18 . 1 1 68 68 ASN N N 487 118.464 118.464 119.052 -0.588 17518
10025 1 18 . 1 1 68 68 ASN HA H 487 5.058 5.058 4.730 0.328 17518
10026 1 18 . 1 1 68 68 ASN C C 487 173.449 173.449 173.941 -0.492 17518
10027 1 18 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.338 0.930 17518
10028 1 18 . 1 1 68 68 ASN CB C 487 38.813 38.813 37.308 1.505 17518
10029 1 18 . 1 1 68 68 ASN H H 487 7.975 7.975 8.042 -0.067 17518
10030 1 18 . 1 1 69 69 TRP N N 488 120.817 120.817 123.061 -2.244 17518
10031 1 18 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.904 -0.082 17518
10032 1 18 . 1 1 69 69 TRP C C 488 176.268 176.268 176.190 0.078 17518
10033 1 18 . 1 1 69 69 TRP CA C 488 57.178 57.178 56.308 0.870 17518
10034 1 18 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.881 0.450 17518
10035 1 18 . 1 1 69 69 TRP H H 488 8.771 8.771 8.007 0.764 17518
10036 1 18 . 1 1 70 70 ASP N N 489 122.179 122.179 119.279 2.900 17518
10037 1 18 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.059 0.137 17518
10038 1 18 . 1 1 70 70 ASP C C 489 175.441 175.441 174.478 0.963 17518
10039 1 18 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.463 -1.118 17518
10040 1 18 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.555 -1.587 17518
10041 1 18 . 1 1 70 70 ASP H H 489 9.795 9.795 8.670 1.125 17518
10042 1 18 . 1 1 71 71 SER N N 490 117.314 117.314 116.714 0.600 17518
10043 1 18 . 1 1 71 71 SER HA H 490 5.084 5.084 4.515 0.569 17518
10044 1 18 . 1 1 71 71 SER C C 490 175.277 175.277 174.136 1.141 17518
10045 1 18 . 1 1 71 71 SER CA C 490 56.099 56.099 56.707 -0.608 17518
10046 1 18 . 1 1 71 71 SER CB C 490 66.550 66.550 65.540 1.010 17518
10047 1 18 . 1 1 71 71 SER H H 490 9.238 9.238 8.122 1.116 17518
10048 1 18 . 1 1 72 72 ASN N N 491 122.911 122.911 123.664 -0.753 17518
10049 1 18 . 1 1 72 72 ASN HA H 491 4.367 4.367 3.778 0.589 17518
10050 1 18 . 1 1 72 72 ASN C C 491 176.857 176.857 175.090 1.767 17518
10051 1 18 . 1 1 72 72 ASN CA C 491 53.192 53.192 54.240 -1.048 17518
10052 1 18 . 1 1 72 72 ASN CB C 491 35.574 35.574 38.082 -2.508 17518
10053 1 18 . 1 1 72 72 ASN H H 491 8.536 8.536 7.461 1.075 17518
10054 1 18 . 1 1 73 73 ASN N N 492 116.146 116.146 114.344 1.802 17518
10055 1 18 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.466 -0.081 17518
10056 1 18 . 1 1 73 73 ASN C C 492 176.335 176.335 174.471 1.864 17518
10057 1 18 . 1 1 73 73 ASN CA C 492 54.488 54.488 55.284 -0.796 17518
10058 1 18 . 1 1 73 73 ASN CB C 492 37.331 37.331 38.155 -0.824 17518
10059 1 18 . 1 1 73 73 ASN H H 492 9.086 9.086 8.701 0.385 17518
10060 1 18 . 1 1 74 74 THR N N 493 110.420 110.420 110.969 -0.549 17518
10061 1 18 . 1 1 74 74 THR HA H 493 3.779 3.779 4.295 -0.516 17518
10062 1 18 . 1 1 74 74 THR C C 493 173.194 173.194 172.899 0.295 17518
10063 1 18 . 1 1 74 74 THR CA C 493 65.027 65.027 63.064 1.963 17518
10064 1 18 . 1 1 74 74 THR CB C 493 69.730 69.730 68.417 1.313 17518
10065 1 18 . 1 1 74 74 THR H H 493 7.782 7.782 8.220 -0.438 17518
10066 1 18 . 1 1 75 75 LYS N N 494 121.968 121.968 120.339 1.629 17518
10067 1 18 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.395 -0.328 17518
10068 1 18 . 1 1 75 75 LYS C C 494 177.470 177.470 174.172 3.298 17518
10069 1 18 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.556 1.453 17518
10070 1 18 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.964 -3.378 17518
10071 1 18 . 1 1 75 75 LYS H H 494 7.652 7.652 8.760 -1.108 17518
10072 1 18 . 1 1 76 76 ASN N N 495 108.525 108.525 114.920 -6.395 17518
10073 1 18 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.645 -0.715 17518
10074 1 18 . 1 1 76 76 ASN C C 495 172.085 172.085 173.526 -1.441 17518
10075 1 18 . 1 1 76 76 ASN CA C 495 54.413 54.413 53.183 1.230 17518
10076 1 18 . 1 1 76 76 ASN CB C 495 39.048 39.048 38.598 0.450 17518
10077 1 18 . 1 1 76 76 ASN H H 495 8.197 8.197 7.824 0.373 17518
10078 1 18 . 1 1 77 77 TYR N N 496 118.076 118.076 121.644 -3.568 17518
10079 1 18 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.757 0.036 17518
10080 1 18 . 1 1 77 77 TYR C C 496 175.074 175.074 175.918 -0.844 17518
10081 1 18 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.620 0.051 17518
10082 1 18 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.727 1.058 17518
10083 1 18 . 1 1 77 77 TYR H H 496 9.133 9.133 8.866 0.267 17518
10084 1 18 . 1 1 78 78 SER N N 497 116.400 116.400 115.132 1.268 17518
10085 1 18 . 1 1 78 78 SER HA H 497 5.345 5.345 5.011 0.334 17518
10086 1 18 . 1 1 78 78 SER C C 497 173.130 173.130 173.029 0.101 17518
10087 1 18 . 1 1 78 78 SER CA C 497 57.191 57.191 56.812 0.380 17518
10088 1 18 . 1 1 78 78 SER CB C 497 64.293 64.293 64.547 -0.255 17518
10089 1 18 . 1 1 78 78 SER H H 497 8.204 8.204 8.231 -0.027 17518
10090 1 18 . 1 1 79 79 PHE N N 498 123.023 123.023 124.665 -1.642 17518
10091 1 18 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.853 -0.043 17518
10092 1 18 . 1 1 79 79 PHE C C 498 175.275 175.275 174.084 1.191 17518
10093 1 18 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.518 0.489 17518
10094 1 18 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.460 -0.471 17518
10095 1 18 . 1 1 79 79 PHE H H 498 9.054 9.054 9.520 -0.466 17518
10096 1 18 . 1 1 80 80 SER N N 499 117.002 117.002 116.574 0.428 17518
10097 1 18 . 1 1 80 80 SER HA H 499 4.997 4.997 4.931 0.066 17518
10098 1 18 . 1 1 80 80 SER C C 499 173.356 173.356 175.007 -1.651 17518
10099 1 18 . 1 1 80 80 SER CA C 499 57.357 57.357 57.010 0.347 17518
10100 1 18 . 1 1 80 80 SER CB C 499 65.301 65.301 65.519 -0.218 17518
10101 1 18 . 1 1 80 80 SER H H 499 8.804 8.804 8.836 -0.032 17518
10102 1 18 . 1 1 81 81 THR N N 500 112.529 112.529 115.086 -2.557 17518
10103 1 18 . 1 1 81 81 THR HA H 500 3.820 3.820 4.051 -0.231 17518
10104 1 18 . 1 1 81 81 THR C C 500 174.378 174.378 175.445 -1.067 17518
10105 1 18 . 1 1 81 81 THR CA C 500 64.220 64.220 63.466 0.754 17518
10106 1 18 . 1 1 81 81 THR CB C 500 69.475 69.475 69.060 0.415 17518
10107 1 18 . 1 1 81 81 THR H H 500 7.559 7.559 8.153 -0.594 17518
10108 1 18 . 1 1 82 82 GLY N N 501 112.234 112.234 113.768 -1.534 17518
10109 1 18 . 1 1 82 82 GLY C C 501 174.342 174.342 172.472 1.870 17518
10110 1 18 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.677 -0.882 17518
10111 1 18 . 1 1 82 82 GLY H H 501 8.409 8.409 8.465 -0.056 17518
10112 1 18 . 1 1 83 83 THR N N 502 120.411 120.411 118.524 1.887 17518
10113 1 18 . 1 1 83 83 THR HA H 502 5.487 5.487 5.481 0.006 17518
10114 1 18 . 1 1 83 83 THR C C 502 174.798 174.798 173.565 1.233 17518
10115 1 18 . 1 1 83 83 THR CA C 502 62.497 62.497 61.093 1.404 17518
10116 1 18 . 1 1 83 83 THR CB C 502 69.978 69.978 71.675 -1.697 17518
10117 1 18 . 1 1 83 83 THR H H 502 8.729 8.729 8.217 0.512 17518
10118 1 18 . 1 1 84 84 SER N N 503 123.023 123.023 120.962 2.061 17518
10119 1 18 . 1 1 84 84 SER HA H 503 5.409 5.409 5.316 0.093 17518
10120 1 18 . 1 1 84 84 SER C C 503 171.976 171.976 173.491 -1.515 17518
10121 1 18 . 1 1 84 84 SER CA C 503 58.675 58.675 57.131 1.544 17518
10122 1 18 . 1 1 84 84 SER CB C 503 67.607 67.607 66.589 1.018 17518
10123 1 18 . 1 1 84 84 SER H H 503 9.121 9.121 9.450 -0.329 17518
10124 1 18 . 1 1 85 85 THR N N 504 118.388 118.388 119.256 -0.868 17518
10125 1 18 . 1 1 85 85 THR HA H 504 5.241 5.241 5.345 -0.104 17518
10126 1 18 . 1 1 85 85 THR C C 504 172.930 172.930 173.085 -0.155 17518
10127 1 18 . 1 1 85 85 THR CA C 504 62.672 62.672 62.875 -0.203 17518
10128 1 18 . 1 1 85 85 THR CB C 504 70.641 70.641 71.378 -0.737 17518
10129 1 18 . 1 1 85 85 THR H H 504 9.445 9.445 8.726 0.719 17518
10130 1 18 . 1 1 86 86 TYR N N 505 129.195 129.195 129.144 0.051 17518
10131 1 18 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.716 -0.607 17518
10132 1 18 . 1 1 86 86 TYR C C 505 173.063 173.063 173.722 -0.659 17518
10133 1 18 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.676 1.604 17518
10134 1 18 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.310 -0.650 17518
10135 1 18 . 1 1 86 86 TYR H H 505 9.858 9.858 9.781 0.077 17518
10136 1 18 . 1 1 87 87 THR N N 506 124.861 124.861 123.139 1.722 17518
10137 1 18 . 1 1 87 87 THR HA H 506 4.288 4.288 4.760 -0.472 17518
10138 1 18 . 1 1 87 87 THR C C 506 171.472 171.472 171.629 -0.157 17518
10139 1 18 . 1 1 87 87 THR CA C 506 58.917 58.917 58.625 0.292 17518
10140 1 18 . 1 1 87 87 THR CB C 506 70.055 70.055 71.463 -1.408 17518
10141 1 18 . 1 1 87 87 THR H H 506 7.906 7.906 8.878 -0.972 17518
10142 1 18 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.379 -0.373 17518
10143 1 18 . 1 1 88 88 PRO C C 507 176.975 176.975 175.795 1.180 17518
10144 1 18 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.818 0.180 17518
10145 1 18 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.383 -0.009 17518
10146 1 18 . 1 1 89 89 GLY N N 508 108.823 108.823 110.065 -1.242 17518
10147 1 18 . 1 1 89 89 GLY C C 508 173.757 173.757 172.868 0.889 17518
10148 1 18 . 1 1 89 89 GLY CA C 508 44.078 44.078 43.870 0.208 17518
10149 1 18 . 1 1 89 89 GLY H H 508 8.294 8.294 8.368 -0.074 17518
10150 1 18 . 1 1 90 90 ASN N N 509 117.850 117.850 116.220 1.630 17518
10151 1 18 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.649 0.074 17518
10152 1 18 . 1 1 90 90 ASN C C 509 176.078 176.078 174.396 1.682 17518
10153 1 18 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.020 -0.114 17518
10154 1 18 . 1 1 90 90 ASN CB C 509 39.922 39.922 39.763 0.159 17518
10155 1 18 . 1 1 90 90 ASN H H 509 8.434 8.434 7.755 0.679 17518
10156 1 18 . 1 1 91 91 SER N N 510 114.973 114.973 116.418 -1.445 17518
10157 1 18 . 1 1 91 91 SER HA H 510 4.133 4.133 4.169 -0.036 17518
10158 1 18 . 1 1 91 91 SER C C 510 174.773 174.773 174.661 0.112 17518
10159 1 18 . 1 1 91 91 SER CA C 510 58.662 58.662 60.832 -2.170 17518
10160 1 18 . 1 1 91 91 SER CB C 510 62.209 62.209 62.491 -0.282 17518
10161 1 18 . 1 1 91 91 SER H H 510 8.819 8.819 8.909 -0.090 17518
10162 1 18 . 1 1 92 92 GLY N N 511 108.552 108.552 109.647 -1.095 17518
10163 1 18 . 1 1 92 92 GLY C C 511 174.613 174.613 174.367 0.246 17518
10164 1 18 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.240 0.023 17518
10165 1 18 . 1 1 92 92 GLY H H 511 8.472 8.472 8.410 0.062 17518
10166 1 18 . 1 1 93 93 ASN N N 512 119.035 119.035 120.251 -1.216 17518
10167 1 18 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.826 -0.056 17518
10168 1 18 . 1 1 93 93 ASN C C 512 174.627 174.627 173.161 1.466 17518
10169 1 18 . 1 1 93 93 ASN CA C 512 52.833 52.833 53.436 -0.603 17518
10170 1 18 . 1 1 93 93 ASN CB C 512 39.771 39.771 40.084 -0.313 17518
10171 1 18 . 1 1 93 93 ASN H H 512 7.985 7.985 7.976 0.009 17518
10172 1 18 . 1 1 94 94 ALA N N 513 123.854 123.854 121.528 2.326 17518
10173 1 18 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.448 0.156 17518
10174 1 18 . 1 1 94 94 ALA C C 513 178.511 178.511 175.842 2.669 17518
10175 1 18 . 1 1 94 94 ALA CA C 513 52.699 52.699 52.498 0.201 17518
10176 1 18 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.312 0.096 17518
10177 1 18 . 1 1 94 94 ALA H H 513 8.442 8.442 8.299 0.143 17518
10178 1 18 . 1 1 95 95 GLY N N 514 108.880 108.880 111.355 -2.475 17518
10179 1 18 . 1 1 95 95 GLY C C 514 173.104 173.104 174.366 -1.262 17518
10180 1 18 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.806 -0.911 17518
10181 1 18 . 1 1 95 95 GLY H H 514 8.353 8.353 8.504 -0.151 17518
10182 1 18 . 1 1 96 96 THR N N 515 110.444 110.444 116.167 -5.723 17518
10183 1 18 . 1 1 96 96 THR HA H 515 4.504 4.504 4.611 -0.107 17518
10184 1 18 . 1 1 96 96 THR C C 515 173.214 173.214 174.160 -0.946 17518
10185 1 18 . 1 1 96 96 THR CA C 515 60.947 60.947 61.494 -0.547 17518
10186 1 18 . 1 1 96 96 THR CB C 515 72.111 72.111 70.546 1.565 17518
10187 1 18 . 1 1 96 96 THR H H 515 7.839 7.839 8.535 -0.696 17518
10188 1 18 . 1 1 97 97 ILE N N 516 126.770 126.770 125.023 1.747 17518
10189 1 18 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.477 -0.506 17518
10190 1 18 . 1 1 97 97 ILE C C 516 176.061 176.061 175.888 0.173 17518
10191 1 18 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.787 1.258 17518
10192 1 18 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.036 -0.294 17518
10193 1 18 . 1 1 97 97 ILE H H 516 8.733 8.733 8.504 0.229 17518
10194 1 18 . 1 1 98 98 THR N N 517 121.307 121.307 119.757 1.550 17518
10195 1 18 . 1 1 98 98 THR HA H 517 4.693 4.693 4.744 -0.051 17518
10196 1 18 . 1 1 98 98 THR C C 517 173.622 173.622 173.880 -0.258 17518
10197 1 18 . 1 1 98 98 THR CA C 517 59.692 59.692 59.950 -0.258 17518
10198 1 18 . 1 1 98 98 THR CB C 517 71.290 71.290 70.591 0.699 17518
10199 1 18 . 1 1 98 98 THR H H 517 9.270 9.270 9.139 0.131 17518
10200 1 18 . 1 1 99 99 SER N N 518 118.544 118.544 118.737 -0.193 17518
10201 1 18 . 1 1 99 99 SER HA H 518 4.548 4.548 4.786 -0.238 17518
10202 1 18 . 1 1 99 99 SER C C 518 175.405 175.405 173.978 1.427 17518
10203 1 18 . 1 1 99 99 SER CA C 518 59.662 59.662 57.953 1.709 17518
10204 1 18 . 1 1 99 99 SER CB C 518 63.836 63.836 63.017 0.820 17518
10205 1 18 . 1 1 99 99 SER H H 518 8.667 8.667 8.742 -0.075 17518
10206 1 18 . 1 1 100 100 GLY N N 519 113.982 113.982 111.698 2.284 17518
10207 1 18 . 1 1 100 100 GLY C C 519 171.714 171.714 172.471 -0.757 17518
10208 1 18 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.695 -0.622 17518
10209 1 18 . 1 1 100 100 GLY H H 519 8.443 8.443 7.693 0.750 17518
10210 1 18 . 1 1 101 101 ALA N N 520 120.741 120.741 125.381 -4.640 17518
10211 1 18 . 1 1 101 101 ALA HA H 520 3.607 3.607 3.948 -0.341 17518
10212 1 18 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.583 -1.120 17518
10213 1 18 . 1 1 101 101 ALA CB C 520 18.131 18.131 18.611 -0.480 17518
10214 1 18 . 1 1 101 101 ALA H H 520 7.908 7.908 8.110 -0.202 17518
10215 1 18 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.252 -0.210 17518
10216 1 18 . 1 1 102 102 PRO C C 521 175.467 175.467 175.835 -0.368 17518
10217 1 18 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.634 0.064 17518
10218 1 18 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.224 -0.360 17518
10219 1 18 . 1 1 103 103 ALA N N 522 122.930 122.930 125.066 -2.136 17518
10220 1 18 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.348 -0.235 17518
10221 1 18 . 1 1 103 103 ALA C C 522 177.009 177.009 177.410 -0.401 17518
10222 1 18 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.506 0.450 17518
10223 1 18 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.862 0.827 17518
10224 1 18 . 1 1 103 103 ALA H H 522 7.993 7.993 8.180 -0.187 17518
10225 1 19 . 1 1 2 2 GLY C C 421 174.167 174.167 173.685 0.482 17518
10226 1 19 . 1 1 2 2 GLY CA C 421 45.259 45.259 44.863 0.396 17518
10227 1 19 . 1 1 3 3 THR N N 422 113.380 113.380 115.089 -1.709 17518
10228 1 19 . 1 1 3 3 THR HA H 422 4.348 4.348 4.401 -0.053 17518
10229 1 19 . 1 1 3 3 THR C C 422 174.773 174.773 174.375 0.398 17518
10230 1 19 . 1 1 3 3 THR CA C 422 61.357 61.357 61.407 -0.050 17518
10231 1 19 . 1 1 3 3 THR CB C 422 69.791 69.791 69.700 0.091 17518
10232 1 19 . 1 1 3 3 THR H H 422 8.099 8.099 8.125 -0.026 17518
10233 1 19 . 1 1 4 4 GLY N N 423 113.124 113.124 110.438 2.686 17518
10234 1 19 . 1 1 4 4 GLY C C 423 173.909 173.909 172.905 1.004 17518
10235 1 19 . 1 1 4 4 GLY CA C 423 45.058 45.058 44.998 0.060 17518
10236 1 19 . 1 1 4 4 GLY H H 423 8.770 8.770 8.242 0.528 17518
10237 1 19 . 1 1 5 5 ASN N N 424 121.226 121.226 120.661 0.565 17518
10238 1 19 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.687 -0.113 17518
10239 1 19 . 1 1 5 5 ASN C C 424 174.450 174.450 174.127 0.323 17518
10240 1 19 . 1 1 5 5 ASN CA C 424 53.237 53.237 53.430 -0.193 17518
10241 1 19 . 1 1 5 5 ASN CB C 424 38.520 38.520 40.422 -1.902 17518
10242 1 19 . 1 1 5 5 ASN H H 424 8.988 8.988 8.269 0.719 17518
10243 1 19 . 1 1 6 6 LYS N N 425 119.587 119.587 121.344 -1.757 17518
10244 1 19 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.517 0.612 17518
10245 1 19 . 1 1 6 6 LYS C C 425 176.281 176.281 174.645 1.636 17518
10246 1 19 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.391 -0.997 17518
10247 1 19 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.751 -0.303 17518
10248 1 19 . 1 1 6 6 LYS H H 425 8.354 8.354 8.326 0.028 17518
10249 1 19 . 1 1 7 7 VAL N N 426 124.203 124.203 125.592 -1.389 17518
10250 1 19 . 1 1 7 7 VAL HA H 426 4.462 4.462 5.006 -0.544 17518
10251 1 19 . 1 1 7 7 VAL C C 426 174.564 174.564 174.896 -0.332 17518
10252 1 19 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.463 0.906 17518
10253 1 19 . 1 1 7 7 VAL CB C 426 34.432 34.432 34.280 0.152 17518
10254 1 19 . 1 1 7 7 VAL H H 426 8.774 8.774 8.901 -0.127 17518
10255 1 19 . 1 1 8 8 THR N N 427 125.363 125.363 124.084 1.279 17518
10256 1 19 . 1 1 8 8 THR HA H 427 5.326 5.326 5.164 0.162 17518
10257 1 19 . 1 1 8 8 THR C C 427 173.108 173.108 172.981 0.127 17518
10258 1 19 . 1 1 8 8 THR CA C 427 61.752 61.752 61.498 0.254 17518
10259 1 19 . 1 1 8 8 THR CB C 427 69.860 69.860 70.583 -0.723 17518
10260 1 19 . 1 1 8 8 THR H H 427 8.851 8.851 9.093 -0.242 17518
10261 1 19 . 1 1 9 9 ILE N N 428 127.015 127.015 126.346 0.669 17518
10262 1 19 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.833 -0.177 17518
10263 1 19 . 1 1 9 9 ILE C C 428 175.404 175.404 174.226 1.178 17518
10264 1 19 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.179 -0.299 17518
10265 1 19 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.700 1.491 17518
10266 1 19 . 1 1 9 9 ILE H H 428 8.628 8.628 9.129 -0.501 17518
10267 1 19 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.447 -0.278 17518
10268 1 19 . 1 1 10 10 TYR C C 429 174.161 174.161 174.896 -0.735 17518
10269 1 19 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.293 2.958 17518
10270 1 19 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.266 1.117 17518
10271 1 19 . 1 1 10 10 TYR H H 429 9.069 9.069 9.133 -0.064 17518
10272 1 19 . 1 1 11 11 TYR N N 430 125.905 125.905 126.114 -0.209 17518
10273 1 19 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.654 -0.664 17518
10274 1 19 . 1 1 11 11 TYR C C 430 173.359 173.359 174.161 -0.802 17518
10275 1 19 . 1 1 11 11 TYR CA C 430 56.630 56.630 54.712 1.918 17518
10276 1 19 . 1 1 11 11 TYR CB C 430 42.942 42.942 42.138 0.804 17518
10277 1 19 . 1 1 11 11 TYR H H 430 9.500 9.500 9.037 0.463 17518
10278 1 19 . 1 1 12 12 LYS N N 431 131.688 131.688 126.050 5.638 17518
10279 1 19 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.349 1.013 17518
10280 1 19 . 1 1 12 12 LYS C C 431 172.929 172.929 174.560 -1.631 17518
10281 1 19 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.286 0.581 17518
10282 1 19 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.428 0.743 17518
10283 1 19 . 1 1 12 12 LYS H H 431 8.410 8.410 7.864 0.546 17518
10284 1 19 . 1 1 13 13 LYS N N 432 125.124 125.124 126.070 -0.946 17518
10285 1 19 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.867 0.005 17518
10286 1 19 . 1 1 13 13 LYS C C 432 180.107 180.107 176.156 3.951 17518
10287 1 19 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.645 -4.137 17518
10288 1 19 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.266 -0.612 17518
10289 1 19 . 1 1 14 14 GLY N N 433 112.761 112.761 112.424 0.337 17518
10290 1 19 . 1 1 14 14 GLY C C 433 174.180 174.180 174.198 -0.018 17518
10291 1 19 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.154 1.188 17518
10292 1 19 . 1 1 14 14 GLY H H 433 7.585 7.585 8.512 -0.927 17518
10293 1 19 . 1 1 15 15 PHE N N 434 121.529 121.529 118.749 2.780 17518
10294 1 19 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.650 0.041 17518
10295 1 19 . 1 1 15 15 PHE C C 434 175.899 175.899 174.884 1.015 17518
10296 1 19 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.212 -2.054 17518
10297 1 19 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.499 -2.027 17518
10298 1 19 . 1 1 15 15 PHE H H 434 8.454 8.454 8.173 0.281 17518
10299 1 19 . 1 1 16 16 ASN N N 435 117.583 117.583 114.893 2.690 17518
10300 1 19 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.621 -0.222 17518
10301 1 19 . 1 1 16 16 ASN C C 435 176.259 176.259 174.725 1.534 17518
10302 1 19 . 1 1 16 16 ASN CA C 435 56.521 56.521 54.181 2.340 17518
10303 1 19 . 1 1 16 16 ASN CB C 435 39.366 39.366 37.947 1.419 17518
10304 1 19 . 1 1 16 16 ASN H H 435 8.513 8.513 8.629 -0.116 17518
10305 1 19 . 1 1 17 17 SER N N 436 112.889 112.889 117.739 -4.850 17518
10306 1 19 . 1 1 17 17 SER HA H 436 4.798 4.798 5.033 -0.235 17518
10307 1 19 . 1 1 17 17 SER C C 436 171.151 171.151 172.010 -0.859 17518
10308 1 19 . 1 1 17 17 SER CA C 436 53.721 53.721 55.808 -2.087 17518
10309 1 19 . 1 1 17 17 SER CB C 436 63.834 63.834 64.096 -0.262 17518
10310 1 19 . 1 1 17 17 SER H H 436 8.315 8.315 8.494 -0.179 17518
10311 1 19 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.680 -0.118 17518
10312 1 19 . 1 1 18 18 PRO C C 437 175.812 175.812 175.684 0.128 17518
10313 1 19 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.243 0.374 17518
10314 1 19 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.602 0.172 17518
10315 1 19 . 1 1 19 19 TYR N N 438 122.060 122.060 119.563 2.497 17518
10316 1 19 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.703 0.127 17518
10317 1 19 . 1 1 19 19 TYR C C 438 174.732 174.732 174.894 -0.162 17518
10318 1 19 . 1 1 19 19 TYR CA C 438 56.729 56.729 57.343 -0.613 17518
10319 1 19 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.279 -0.521 17518
10320 1 19 . 1 1 19 19 TYR H H 438 9.072 9.072 8.817 0.255 17518
10321 1 19 . 1 1 20 20 ILE N N 439 118.018 118.018 120.699 -2.681 17518
10322 1 19 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.836 0.152 17518
10323 1 19 . 1 1 20 20 ILE C C 439 171.341 171.341 174.408 -3.067 17518
10324 1 19 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.120 -0.547 17518
10325 1 19 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.237 0.421 17518
10326 1 19 . 1 1 20 20 ILE H H 439 9.164 9.164 8.690 0.474 17518
10327 1 19 . 1 1 21 21 HIS N N 440 133.346 133.346 131.004 2.342 17518
10328 1 19 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.958 0.417 17518
10329 1 19 . 1 1 21 21 HIS C C 440 174.947 174.947 173.536 1.411 17518
10330 1 19 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.272 -0.471 17518
10331 1 19 . 1 1 21 21 HIS CB C 440 35.001 35.001 30.286 4.715 17518
10332 1 19 . 1 1 21 21 HIS H H 440 8.843 8.843 8.652 0.191 17518
10333 1 19 . 1 1 22 22 TYR N N 441 121.863 121.863 123.062 -1.199 17518
10334 1 19 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.586 0.471 17518
10335 1 19 . 1 1 22 22 TYR C C 441 173.567 173.567 173.212 0.355 17518
10336 1 19 . 1 1 22 22 TYR CA C 441 56.693 56.693 55.190 1.503 17518
10337 1 19 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.727 1.069 17518
10338 1 19 . 1 1 22 22 TYR H H 441 8.231 8.231 7.837 0.394 17518
10339 1 19 . 1 1 23 23 ARG N N 442 116.788 116.788 120.744 -3.956 17518
10340 1 19 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.715 -0.084 17518
10341 1 19 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.371 -0.011 17518
10342 1 19 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.469 -1.155 17518
10343 1 19 . 1 1 23 23 ARG H H 442 8.456 8.456 9.074 -0.618 17518
10344 1 19 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.524 -0.017 17518
10345 1 19 . 1 1 24 24 PRO C C 443 176.258 176.258 176.011 0.247 17518
10346 1 19 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.896 0.348 17518
10347 1 19 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.319 -0.123 17518
10348 1 19 . 1 1 25 25 ALA N N 444 125.666 125.666 126.056 -0.390 17518
10349 1 19 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.949 0.009 17518
10350 1 19 . 1 1 25 25 ALA C C 444 179.221 179.221 177.378 1.843 17518
10351 1 19 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.350 0.830 17518
10352 1 19 . 1 1 25 25 ALA CB C 444 18.420 18.420 17.937 0.483 17518
10353 1 19 . 1 1 25 25 ALA H H 444 8.230 8.230 8.189 0.041 17518
10354 1 19 . 1 1 26 26 GLY N N 445 112.217 112.217 110.120 2.097 17518
10355 1 19 . 1 1 26 26 GLY C C 445 174.734 174.734 174.159 0.575 17518
10356 1 19 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.696 0.966 17518
10357 1 19 . 1 1 26 26 GLY H H 445 8.591 8.591 8.081 0.510 17518
10358 1 19 . 1 1 27 27 GLY N N 446 109.489 109.489 109.010 0.479 17518
10359 1 19 . 1 1 27 27 GLY C C 446 173.379 173.379 172.642 0.737 17518
10360 1 19 . 1 1 27 27 GLY CA C 446 44.117 44.117 43.895 0.222 17518
10361 1 19 . 1 1 27 27 GLY H H 446 8.380 8.380 8.332 0.048 17518
10362 1 19 . 1 1 28 28 SER N N 447 117.275 117.275 114.429 2.846 17518
10363 1 19 . 1 1 28 28 SER HA H 447 4.637 4.637 4.637 -0.000 17518
10364 1 19 . 1 1 28 28 SER C C 447 173.759 173.759 173.405 0.354 17518
10365 1 19 . 1 1 28 28 SER CA C 447 57.410 57.410 57.161 0.249 17518
10366 1 19 . 1 1 28 28 SER CB C 447 65.022 65.022 65.224 -0.202 17518
10367 1 19 . 1 1 28 28 SER H H 447 8.585 8.585 8.164 0.421 17518
10368 1 19 . 1 1 29 29 TRP N N 448 123.426 123.426 121.851 1.575 17518
10369 1 19 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.445 -0.052 17518
10370 1 19 . 1 1 29 29 TRP C C 448 178.997 178.997 177.294 1.703 17518
10371 1 19 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.949 0.217 17518
10372 1 19 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.258 0.348 17518
10373 1 19 . 1 1 29 29 TRP H H 448 8.346 8.346 8.484 -0.138 17518
10374 1 19 . 1 1 30 30 THR N N 449 111.168 111.168 115.612 -4.444 17518
10375 1 19 . 1 1 30 30 THR HA H 449 3.978 3.978 4.375 -0.397 17518
10376 1 19 . 1 1 30 30 THR C C 449 174.707 174.707 174.236 0.471 17518
10377 1 19 . 1 1 30 30 THR CA C 449 61.317 61.317 61.746 -0.429 17518
10378 1 19 . 1 1 30 30 THR CB C 449 70.526 70.526 69.332 1.194 17518
10379 1 19 . 1 1 30 30 THR H H 449 7.888 7.888 8.358 -0.470 17518
10380 1 19 . 1 1 31 31 ALA N N 450 122.982 122.982 124.013 -1.031 17518
10381 1 19 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.301 0.098 17518
10382 1 19 . 1 1 31 31 ALA C C 450 178.443 178.443 176.555 1.888 17518
10383 1 19 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.338 0.546 17518
10384 1 19 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.082 -0.021 17518
10385 1 19 . 1 1 31 31 ALA H H 450 8.383 8.383 8.444 -0.061 17518
10386 1 19 . 1 1 32 32 ALA N N 451 129.780 129.780 126.908 2.872 17518
10387 1 19 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.142 -0.284 17518
10388 1 19 . 1 1 32 32 ALA C C 451 175.997 175.997 175.812 0.185 17518
10389 1 19 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.469 1.342 17518
10390 1 19 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.325 -2.079 17518
10391 1 19 . 1 1 32 32 ALA H H 451 8.778 8.778 7.842 0.936 17518
10392 1 19 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.280 -0.436 17518
10393 1 19 . 1 1 33 33 PRO C C 452 173.297 173.297 176.890 -3.593 17518
10394 1 19 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.399 1.333 17518
10395 1 19 . 1 1 33 33 PRO CB C 452 33.646 33.646 32.700 0.946 17518
10396 1 19 . 1 1 34 34 GLY N N 453 112.150 112.150 112.398 -0.248 17518
10397 1 19 . 1 1 34 34 GLY C C 453 174.011 174.011 173.947 0.064 17518
10398 1 19 . 1 1 34 34 GLY CA C 453 43.995 43.995 46.201 -2.206 17518
10399 1 19 . 1 1 34 34 GLY H H 453 8.685 8.685 8.006 0.679 17518
10400 1 19 . 1 1 35 35 VAL N N 454 123.276 123.276 122.953 0.323 17518
10401 1 19 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.415 -0.069 17518
10402 1 19 . 1 1 35 35 VAL C C 454 174.782 174.782 175.372 -0.590 17518
10403 1 19 . 1 1 35 35 VAL CA C 454 60.959 60.959 60.055 0.904 17518
10404 1 19 . 1 1 35 35 VAL CB C 454 34.857 34.857 35.667 -0.810 17518
10405 1 19 . 1 1 35 35 VAL H H 454 9.287 9.287 8.512 0.775 17518
10406 1 19 . 1 1 36 36 LYS N N 455 128.135 128.135 129.962 -1.827 17518
10407 1 19 . 1 1 36 36 LYS HA H 455 3.061 3.061 3.911 -0.850 17518
10408 1 19 . 1 1 36 36 LYS C C 455 176.438 176.438 176.220 0.218 17518
10409 1 19 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.593 0.630 17518
10410 1 19 . 1 1 36 36 LYS CB C 455 32.619 32.619 31.389 1.230 17518
10411 1 19 . 1 1 36 36 LYS H H 455 8.443 8.443 8.616 -0.173 17518
10412 1 19 . 1 1 37 37 MET N N 456 124.850 124.850 127.036 -2.186 17518
10413 1 19 . 1 1 37 37 MET HA H 456 4.207 4.207 4.134 0.073 17518
10414 1 19 . 1 1 37 37 MET C C 456 175.590 175.590 176.533 -0.943 17518
10415 1 19 . 1 1 37 37 MET CA C 456 56.409 56.409 57.654 -1.244 17518
10416 1 19 . 1 1 37 37 MET CB C 456 34.978 34.978 32.261 2.717 17518
10417 1 19 . 1 1 37 37 MET H H 456 8.121 8.121 8.310 -0.189 17518
10418 1 19 . 1 1 38 38 GLN N N 457 121.555 121.555 122.176 -0.621 17518
10419 1 19 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.102 0.291 17518
10420 1 19 . 1 1 38 38 GLN C C 457 175.737 175.737 175.805 -0.068 17518
10421 1 19 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.496 -1.713 17518
10422 1 19 . 1 1 38 38 GLN CB C 457 30.307 30.307 29.044 1.263 17518
10423 1 19 . 1 1 38 38 GLN H H 457 8.441 8.441 8.734 -0.293 17518
10424 1 19 . 1 1 39 39 ASP N N 458 121.629 121.629 118.919 2.710 17518
10425 1 19 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.666 0.065 17518
10426 1 19 . 1 1 39 39 ASP C C 458 176.733 176.733 175.168 1.565 17518
10427 1 19 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.253 2.004 17518
10428 1 19 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.811 -0.453 17518
10429 1 19 . 1 1 39 39 ASP H H 458 8.720 8.720 8.437 0.283 17518
10430 1 19 . 1 1 40 40 ALA N N 459 122.646 122.646 125.555 -2.909 17518
10431 1 19 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.633 -0.341 17518
10432 1 19 . 1 1 40 40 ALA C C 459 175.201 175.201 177.835 -2.634 17518
10433 1 19 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.256 0.300 17518
10434 1 19 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.663 2.285 17518
10435 1 19 . 1 1 40 40 ALA H H 459 8.423 8.423 8.870 -0.447 17518
10436 1 19 . 1 1 41 41 GLU N N 460 120.190 120.190 126.287 -6.097 17518
10437 1 19 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.915 0.392 17518
10438 1 19 . 1 1 41 41 GLU C C 460 174.722 174.722 177.748 -3.026 17518
10439 1 19 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.388 -0.869 17518
10440 1 19 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.145 -1.809 17518
10441 1 19 . 1 1 41 41 GLU H H 460 10.341 10.341 8.863 1.478 17518
10442 1 19 . 1 1 42 42 ILE N N 461 119.473 119.473 118.043 1.430 17518
10443 1 19 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.622 0.689 17518
10444 1 19 . 1 1 42 42 ILE C C 461 174.959 174.959 176.277 -1.318 17518
10445 1 19 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.230 -4.264 17518
10446 1 19 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.121 2.624 17518
10447 1 19 . 1 1 42 42 ILE H H 461 6.466 6.466 7.738 -1.272 17518
10448 1 19 . 1 1 43 43 SER N N 462 121.292 121.292 110.630 10.662 17518
10449 1 19 . 1 1 43 43 SER HA H 462 4.297 4.297 4.452 -0.155 17518
10450 1 19 . 1 1 43 43 SER C C 462 175.624 175.624 173.684 1.940 17518
10451 1 19 . 1 1 43 43 SER CA C 462 60.112 60.112 58.250 1.862 17518
10452 1 19 . 1 1 43 43 SER CB C 462 63.116 63.116 63.437 -0.321 17518
10453 1 19 . 1 1 43 43 SER H H 462 8.584 8.584 7.573 1.011 17518
10454 1 19 . 1 1 44 44 GLY N N 463 111.896 111.896 107.382 4.514 17518
10455 1 19 . 1 1 44 44 GLY C C 463 173.823 173.823 172.967 0.856 17518
10456 1 19 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.321 -0.442 17518
10457 1 19 . 1 1 44 44 GLY H H 463 8.623 8.623 7.891 0.732 17518
10458 1 19 . 1 1 45 45 TYR N N 464 116.379 116.379 119.794 -3.415 17518
10459 1 19 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.718 0.980 17518
10460 1 19 . 1 1 45 45 TYR C C 464 175.693 175.693 173.282 2.411 17518
10461 1 19 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.702 -0.090 17518
10462 1 19 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.625 -0.701 17518
10463 1 19 . 1 1 45 45 TYR H H 464 7.803 7.803 8.081 -0.278 17518
10464 1 19 . 1 1 46 46 ALA N N 465 126.206 126.206 120.306 5.900 17518
10465 1 19 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.441 -0.104 17518
10466 1 19 . 1 1 46 46 ALA C C 465 176.129 176.129 175.829 0.300 17518
10467 1 19 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.795 0.661 17518
10468 1 19 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.112 2.234 17518
10469 1 19 . 1 1 46 46 ALA H H 465 9.910 9.910 9.185 0.725 17518
10470 1 19 . 1 1 47 47 LYS N N 466 120.226 120.226 120.928 -0.702 17518
10471 1 19 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.262 0.410 17518
10472 1 19 . 1 1 47 47 LYS C C 466 173.880 173.880 174.763 -0.883 17518
10473 1 19 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.324 0.082 17518
10474 1 19 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.549 0.611 17518
10475 1 19 . 1 1 47 47 LYS H H 466 9.373 9.373 8.409 0.964 17518
10476 1 19 . 1 1 48 48 ILE N N 467 120.505 120.505 120.961 -0.456 17518
10477 1 19 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.507 -0.104 17518
10478 1 19 . 1 1 48 48 ILE C C 467 171.247 171.247 173.279 -2.032 17518
10479 1 19 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.476 -0.094 17518
10480 1 19 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.735 -0.201 17518
10481 1 19 . 1 1 48 48 ILE H H 467 8.085 8.085 8.765 -0.680 17518
10482 1 19 . 1 1 49 49 THR N N 468 122.247 122.247 124.776 -2.529 17518
10483 1 19 . 1 1 49 49 THR HA H 468 5.301 5.301 5.362 -0.061 17518
10484 1 19 . 1 1 49 49 THR C C 468 173.694 173.694 173.534 0.160 17518
10485 1 19 . 1 1 49 49 THR CA C 468 61.871 61.871 60.865 1.006 17518
10486 1 19 . 1 1 49 49 THR CB C 468 70.649 70.649 70.178 0.471 17518
10487 1 19 . 1 1 49 49 THR H H 468 7.954 7.954 8.121 -0.167 17518
10488 1 19 . 1 1 50 50 VAL N N 469 126.076 126.076 125.637 0.439 17518
10489 1 19 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.062 0.049 17518
10490 1 19 . 1 1 50 50 VAL C C 469 173.826 173.826 174.057 -0.231 17518
10491 1 19 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.909 -0.710 17518
10492 1 19 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.483 -0.435 17518
10493 1 19 . 1 1 50 50 VAL H H 469 9.242 9.242 8.991 0.251 17518
10494 1 19 . 1 1 51 51 ASP N N 470 126.346 126.346 125.118 1.228 17518
10495 1 19 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.743 0.170 17518
10496 1 19 . 1 1 51 51 ASP C C 470 177.013 177.013 176.543 0.470 17518
10497 1 19 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.114 -1.101 17518
10498 1 19 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.152 -0.233 17518
10499 1 19 . 1 1 51 51 ASP H H 470 8.476 8.476 8.530 -0.054 17518
10500 1 19 . 1 1 52 52 ILE N N 471 118.935 118.935 118.045 0.890 17518
10501 1 19 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.607 -0.069 17518
10502 1 19 . 1 1 52 52 ILE C C 471 176.991 176.991 176.125 0.866 17518
10503 1 19 . 1 1 52 52 ILE CA C 471 59.992 59.992 59.635 0.358 17518
10504 1 19 . 1 1 52 52 ILE CB C 471 38.002 38.002 38.640 -0.638 17518
10505 1 19 . 1 1 52 52 ILE H H 471 8.728 8.728 8.410 0.318 17518
10506 1 19 . 1 1 53 53 GLY N N 472 114.498 114.498 110.982 3.516 17518
10507 1 19 . 1 1 53 53 GLY C C 472 174.971 174.971 174.309 0.662 17518
10508 1 19 . 1 1 53 53 GLY CA C 472 47.668 47.668 46.794 0.874 17518
10509 1 19 . 1 1 53 53 GLY H H 472 9.078 9.078 9.090 -0.012 17518
10510 1 19 . 1 1 54 54 SER N N 473 120.546 120.546 115.563 4.983 17518
10511 1 19 . 1 1 54 54 SER HA H 473 4.426 4.426 4.264 0.162 17518
10512 1 19 . 1 1 54 54 SER C C 473 174.975 174.975 173.107 1.868 17518
10513 1 19 . 1 1 54 54 SER CA C 473 58.417 58.417 58.442 -0.025 17518
10514 1 19 . 1 1 54 54 SER CB C 473 63.632 63.632 63.801 -0.169 17518
10515 1 19 . 1 1 54 54 SER H H 473 8.808 8.808 8.749 0.059 17518
10516 1 19 . 1 1 55 55 ALA N N 474 125.402 125.402 124.569 0.833 17518
10517 1 19 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.794 -0.428 17518
10518 1 19 . 1 1 55 55 ALA C C 474 176.116 176.116 176.454 -0.338 17518
10519 1 19 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.082 1.290 17518
10520 1 19 . 1 1 55 55 ALA CB C 474 20.315 20.315 21.176 -0.861 17518
10521 1 19 . 1 1 55 55 ALA H H 474 7.738 7.738 8.071 -0.333 17518
10522 1 19 . 1 1 56 56 SER N N 475 110.149 110.149 116.443 -6.294 17518
10523 1 19 . 1 1 56 56 SER HA H 475 4.539 4.539 4.396 0.143 17518
10524 1 19 . 1 1 56 56 SER C C 475 173.662 173.662 174.217 -0.555 17518
10525 1 19 . 1 1 56 56 SER CA C 475 58.121 58.121 58.884 -0.763 17518
10526 1 19 . 1 1 56 56 SER CB C 475 65.000 65.000 63.737 1.263 17518
10527 1 19 . 1 1 56 56 SER H H 475 8.756 8.756 8.637 0.119 17518
10528 1 19 . 1 1 57 57 GLN N N 476 117.023 117.023 117.692 -0.669 17518
10529 1 19 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.756 0.302 17518
10530 1 19 . 1 1 57 57 GLN C C 476 173.042 173.042 173.167 -0.125 17518
10531 1 19 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.202 -0.978 17518
10532 1 19 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.715 -0.105 17518
10533 1 19 . 1 1 57 57 GLN H H 476 7.139 7.139 7.383 -0.244 17518
10534 1 19 . 1 1 58 58 LEU N N 477 121.156 121.156 121.694 -0.538 17518
10535 1 19 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.015 -0.269 17518
10536 1 19 . 1 1 58 58 LEU C C 477 173.922 173.922 173.992 -0.070 17518
10537 1 19 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.454 -0.946 17518
10538 1 19 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.535 0.745 17518
10539 1 19 . 1 1 58 58 LEU H H 477 9.149 9.149 9.235 -0.086 17518
10540 1 19 . 1 1 59 59 GLU N N 478 126.375 126.375 127.979 -1.604 17518
10541 1 19 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.257 0.099 17518
10542 1 19 . 1 1 59 59 GLU C C 478 175.481 175.481 174.727 0.754 17518
10543 1 19 . 1 1 59 59 GLU CA C 478 54.597 54.597 54.321 0.276 17518
10544 1 19 . 1 1 59 59 GLU CB C 478 32.759 32.759 32.376 0.383 17518
10545 1 19 . 1 1 59 59 GLU H H 478 8.558 8.558 9.026 -0.468 17518
10546 1 19 . 1 1 60 60 ALA N N 479 124.321 124.321 128.497 -4.176 17518
10547 1 19 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.831 -0.039 17518
10548 1 19 . 1 1 60 60 ALA C C 479 174.955 174.955 175.201 -0.246 17518
10549 1 19 . 1 1 60 60 ALA CA C 479 51.141 51.141 51.037 0.104 17518
10550 1 19 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.871 1.223 17518
10551 1 19 . 1 1 60 60 ALA H H 479 9.614 9.614 9.514 0.100 17518
10552 1 19 . 1 1 61 61 ALA N N 480 120.954 120.954 120.869 0.085 17518
10553 1 19 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.014 -0.220 17518
10554 1 19 . 1 1 61 61 ALA C C 480 174.782 174.782 174.926 -0.144 17518
10555 1 19 . 1 1 61 61 ALA CA C 480 51.257 51.257 50.763 0.494 17518
10556 1 19 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.725 0.489 17518
10557 1 19 . 1 1 61 61 ALA H H 480 9.346 9.346 9.289 0.057 17518
10558 1 19 . 1 1 62 62 PHE N N 481 117.021 117.021 119.820 -2.799 17518
10559 1 19 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.994 0.890 17518
10560 1 19 . 1 1 62 62 PHE C C 481 175.044 175.044 173.336 1.708 17518
10561 1 19 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.040 1.548 17518
10562 1 19 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.813 0.450 17518
10563 1 19 . 1 1 62 62 PHE H H 481 8.351 8.351 8.718 -0.367 17518
10564 1 19 . 1 1 63 63 ASN N N 482 116.362 116.362 121.892 -5.530 17518
10565 1 19 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.365 0.743 17518
10566 1 19 . 1 1 63 63 ASN C C 482 172.088 172.088 174.260 -2.172 17518
10567 1 19 . 1 1 63 63 ASN CA C 482 53.710 53.710 52.114 1.596 17518
10568 1 19 . 1 1 63 63 ASN CB C 482 41.348 41.348 41.079 0.269 17518
10569 1 19 . 1 1 63 63 ASN H H 482 9.077 9.077 8.528 0.549 17518
10570 1 19 . 1 1 64 64 ASP N N 483 118.002 118.002 120.960 -2.958 17518
10571 1 19 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.076 0.108 17518
10572 1 19 . 1 1 64 64 ASP C C 483 177.271 177.271 177.387 -0.116 17518
10573 1 19 . 1 1 64 64 ASP CA C 483 52.301 52.301 54.425 -2.124 17518
10574 1 19 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.698 1.189 17518
10575 1 19 . 1 1 64 64 ASP H H 483 7.482 7.482 7.966 -0.484 17518
10576 1 19 . 1 1 65 65 GLY N N 484 110.602 110.602 108.179 2.423 17518
10577 1 19 . 1 1 65 65 GLY C C 484 173.156 173.156 174.004 -0.848 17518
10578 1 19 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.762 -0.147 17518
10579 1 19 . 1 1 65 65 GLY H H 484 8.696 8.696 7.572 1.124 17518
10580 1 19 . 1 1 66 66 ASN N N 485 120.867 120.867 119.282 1.585 17518
10581 1 19 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.610 0.094 17518
10582 1 19 . 1 1 66 66 ASN C C 485 174.442 174.442 174.796 -0.354 17518
10583 1 19 . 1 1 66 66 ASN CA C 485 52.311 52.311 54.959 -2.648 17518
10584 1 19 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.155 0.336 17518
10585 1 19 . 1 1 66 66 ASN H H 485 8.371 8.371 8.455 -0.084 17518
10586 1 19 . 1 1 67 67 ASN N N 486 113.518 113.518 114.989 -1.471 17518
10587 1 19 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.890 -0.712 17518
10588 1 19 . 1 1 67 67 ASN C C 486 173.845 173.845 173.655 0.190 17518
10589 1 19 . 1 1 67 67 ASN CA C 486 54.486 54.486 52.931 1.555 17518
10590 1 19 . 1 1 67 67 ASN CB C 486 38.267 38.267 41.043 -2.776 17518
10591 1 19 . 1 1 67 67 ASN H H 486 8.700 8.700 8.304 0.396 17518
10592 1 19 . 1 1 68 68 ASN N N 487 118.464 118.464 120.270 -1.806 17518
10593 1 19 . 1 1 68 68 ASN HA H 487 5.058 5.058 5.126 -0.068 17518
10594 1 19 . 1 1 68 68 ASN C C 487 173.449 173.449 173.332 0.117 17518
10595 1 19 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.760 0.509 17518
10596 1 19 . 1 1 68 68 ASN CB C 487 38.813 38.813 40.291 -1.478 17518
10597 1 19 . 1 1 68 68 ASN H H 487 7.975 7.975 8.803 -0.828 17518
10598 1 19 . 1 1 69 69 TRP N N 488 120.817 120.817 122.527 -1.710 17518
10599 1 19 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.777 0.045 17518
10600 1 19 . 1 1 69 69 TRP C C 488 176.268 176.268 175.629 0.639 17518
10601 1 19 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.786 1.392 17518
10602 1 19 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.966 0.365 17518
10603 1 19 . 1 1 69 69 TRP H H 488 8.771 8.771 8.695 0.076 17518
10604 1 19 . 1 1 70 70 ASP N N 489 122.179 122.179 119.735 2.444 17518
10605 1 19 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.123 0.073 17518
10606 1 19 . 1 1 70 70 ASP C C 489 175.441 175.441 174.412 1.029 17518
10607 1 19 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.457 -1.112 17518
10608 1 19 . 1 1 70 70 ASP CB C 489 41.968 41.968 44.235 -2.267 17518
10609 1 19 . 1 1 70 70 ASP H H 489 9.795 9.795 9.164 0.631 17518
10610 1 19 . 1 1 71 71 SER N N 490 117.314 117.314 119.144 -1.830 17518
10611 1 19 . 1 1 71 71 SER HA H 490 5.084 5.084 4.532 0.552 17518
10612 1 19 . 1 1 71 71 SER C C 490 175.277 175.277 173.966 1.311 17518
10613 1 19 . 1 1 71 71 SER CA C 490 56.099 56.099 57.070 -0.971 17518
10614 1 19 . 1 1 71 71 SER CB C 490 66.550 66.550 65.823 0.727 17518
10615 1 19 . 1 1 71 71 SER H H 490 9.238 9.238 8.379 0.859 17518
10616 1 19 . 1 1 72 72 ASN N N 491 122.911 122.911 123.425 -0.514 17518
10617 1 19 . 1 1 72 72 ASN HA H 491 4.367 4.367 3.912 0.455 17518
10618 1 19 . 1 1 72 72 ASN C C 491 176.857 176.857 175.307 1.550 17518
10619 1 19 . 1 1 72 72 ASN CA C 491 53.192 53.192 54.310 -1.118 17518
10620 1 19 . 1 1 72 72 ASN CB C 491 35.574 35.574 37.496 -1.922 17518
10621 1 19 . 1 1 72 72 ASN H H 491 8.536 8.536 7.034 1.502 17518
10622 1 19 . 1 1 73 73 ASN N N 492 116.146 116.146 115.521 0.625 17518
10623 1 19 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.474 -0.089 17518
10624 1 19 . 1 1 73 73 ASN C C 492 176.335 176.335 174.284 2.051 17518
10625 1 19 . 1 1 73 73 ASN CA C 492 54.488 54.488 55.599 -1.111 17518
10626 1 19 . 1 1 73 73 ASN CB C 492 37.331 37.331 38.002 -0.671 17518
10627 1 19 . 1 1 73 73 ASN H H 492 9.086 9.086 8.553 0.533 17518
10628 1 19 . 1 1 74 74 THR N N 493 110.420 110.420 111.154 -0.734 17518
10629 1 19 . 1 1 74 74 THR HA H 493 3.779 3.779 4.352 -0.573 17518
10630 1 19 . 1 1 74 74 THR C C 493 173.194 173.194 172.639 0.555 17518
10631 1 19 . 1 1 74 74 THR CA C 493 65.027 65.027 62.773 2.255 17518
10632 1 19 . 1 1 74 74 THR CB C 493 69.730 69.730 68.214 1.516 17518
10633 1 19 . 1 1 74 74 THR H H 493 7.782 7.782 8.319 -0.537 17518
10634 1 19 . 1 1 75 75 LYS N N 494 121.968 121.968 120.905 1.063 17518
10635 1 19 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.376 -0.309 17518
10636 1 19 . 1 1 75 75 LYS C C 494 177.470 177.470 174.216 3.254 17518
10637 1 19 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.444 1.565 17518
10638 1 19 . 1 1 75 75 LYS CB C 494 32.586 32.586 34.429 -1.843 17518
10639 1 19 . 1 1 75 75 LYS H H 494 7.652 7.652 8.681 -1.029 17518
10640 1 19 . 1 1 76 76 ASN N N 495 108.525 108.525 116.139 -7.614 17518
10641 1 19 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.547 -0.617 17518
10642 1 19 . 1 1 76 76 ASN C C 495 172.085 172.085 172.781 -0.696 17518
10643 1 19 . 1 1 76 76 ASN CA C 495 54.413 54.413 52.923 1.490 17518
10644 1 19 . 1 1 76 76 ASN CB C 495 39.048 39.048 38.720 0.328 17518
10645 1 19 . 1 1 76 76 ASN H H 495 8.197 8.197 7.629 0.568 17518
10646 1 19 . 1 1 77 77 TYR N N 496 118.076 118.076 118.638 -0.562 17518
10647 1 19 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.588 0.205 17518
10648 1 19 . 1 1 77 77 TYR C C 496 175.074 175.074 174.406 0.668 17518
10649 1 19 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.510 0.161 17518
10650 1 19 . 1 1 77 77 TYR CB C 496 41.785 41.785 41.095 0.690 17518
10651 1 19 . 1 1 77 77 TYR H H 496 9.133 9.133 8.751 0.382 17518
10652 1 19 . 1 1 78 78 SER N N 497 116.400 116.400 115.876 0.524 17518
10653 1 19 . 1 1 78 78 SER HA H 497 5.345 5.345 4.676 0.669 17518
10654 1 19 . 1 1 78 78 SER C C 497 173.130 173.130 172.685 0.445 17518
10655 1 19 . 1 1 78 78 SER CA C 497 57.191 57.191 55.826 1.365 17518
10656 1 19 . 1 1 78 78 SER CB C 497 64.293 64.293 64.545 -0.252 17518
10657 1 19 . 1 1 78 78 SER H H 497 8.204 8.204 8.064 0.140 17518
10658 1 19 . 1 1 79 79 PHE N N 498 123.023 123.023 123.781 -0.758 17518
10659 1 19 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.881 -0.071 17518
10660 1 19 . 1 1 79 79 PHE C C 498 175.275 175.275 174.525 0.750 17518
10661 1 19 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.797 0.210 17518
10662 1 19 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.044 -0.055 17518
10663 1 19 . 1 1 79 79 PHE H H 498 9.054 9.054 9.178 -0.124 17518
10664 1 19 . 1 1 80 80 SER N N 499 117.002 117.002 117.431 -0.429 17518
10665 1 19 . 1 1 80 80 SER HA H 499 4.997 4.997 4.829 0.168 17518
10666 1 19 . 1 1 80 80 SER C C 499 173.356 173.356 175.116 -1.760 17518
10667 1 19 . 1 1 80 80 SER CA C 499 57.357 57.357 56.915 0.442 17518
10668 1 19 . 1 1 80 80 SER CB C 499 65.301 65.301 64.544 0.757 17518
10669 1 19 . 1 1 80 80 SER H H 499 8.804 8.804 8.553 0.251 17518
10670 1 19 . 1 1 81 81 THR N N 500 112.529 112.529 114.787 -2.258 17518
10671 1 19 . 1 1 81 81 THR HA H 500 3.820 3.820 3.864 -0.044 17518
10672 1 19 . 1 1 81 81 THR C C 500 174.378 174.378 175.127 -0.749 17518
10673 1 19 . 1 1 81 81 THR CA C 500 64.220 64.220 63.339 0.881 17518
10674 1 19 . 1 1 81 81 THR CB C 500 69.475 69.475 68.904 0.571 17518
10675 1 19 . 1 1 81 81 THR H H 500 7.559 7.559 8.155 -0.596 17518
10676 1 19 . 1 1 82 82 GLY N N 501 112.234 112.234 114.640 -2.406 17518
10677 1 19 . 1 1 82 82 GLY C C 501 174.342 174.342 172.229 2.113 17518
10678 1 19 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.663 -0.868 17518
10679 1 19 . 1 1 82 82 GLY H H 501 8.409 8.409 8.577 -0.168 17518
10680 1 19 . 1 1 83 83 THR N N 502 120.411 120.411 118.507 1.904 17518
10681 1 19 . 1 1 83 83 THR HA H 502 5.487 5.487 5.201 0.286 17518
10682 1 19 . 1 1 83 83 THR C C 502 174.798 174.798 173.542 1.256 17518
10683 1 19 . 1 1 83 83 THR CA C 502 62.497 62.497 60.524 1.973 17518
10684 1 19 . 1 1 83 83 THR CB C 502 69.978 69.978 71.446 -1.468 17518
10685 1 19 . 1 1 83 83 THR H H 502 8.729 8.729 8.097 0.632 17518
10686 1 19 . 1 1 84 84 SER N N 503 123.023 123.023 120.840 2.183 17518
10687 1 19 . 1 1 84 84 SER HA H 503 5.409 5.409 5.175 0.234 17518
10688 1 19 . 1 1 84 84 SER C C 503 171.976 171.976 173.066 -1.090 17518
10689 1 19 . 1 1 84 84 SER CA C 503 58.675 58.675 56.775 1.900 17518
10690 1 19 . 1 1 84 84 SER CB C 503 67.607 67.607 66.618 0.989 17518
10691 1 19 . 1 1 84 84 SER H H 503 9.121 9.121 9.137 -0.016 17518
10692 1 19 . 1 1 85 85 THR N N 504 118.388 118.388 119.043 -0.655 17518
10693 1 19 . 1 1 85 85 THR HA H 504 5.241 5.241 5.165 0.076 17518
10694 1 19 . 1 1 85 85 THR C C 504 172.930 172.930 172.984 -0.054 17518
10695 1 19 . 1 1 85 85 THR CA C 504 62.672 62.672 62.357 0.315 17518
10696 1 19 . 1 1 85 85 THR CB C 504 70.641 70.641 71.133 -0.492 17518
10697 1 19 . 1 1 85 85 THR H H 504 9.445 9.445 8.754 0.691 17518
10698 1 19 . 1 1 86 86 TYR N N 505 129.195 129.195 128.807 0.388 17518
10699 1 19 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.636 -0.527 17518
10700 1 19 . 1 1 86 86 TYR C C 505 173.063 173.063 173.875 -0.812 17518
10701 1 19 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.600 1.680 17518
10702 1 19 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.360 -0.700 17518
10703 1 19 . 1 1 86 86 TYR H H 505 9.858 9.858 9.701 0.157 17518
10704 1 19 . 1 1 87 87 THR N N 506 124.861 124.861 122.908 1.953 17518
10705 1 19 . 1 1 87 87 THR HA H 506 4.288 4.288 4.738 -0.450 17518
10706 1 19 . 1 1 87 87 THR C C 506 171.472 171.472 171.690 -0.218 17518
10707 1 19 . 1 1 87 87 THR CA C 506 58.917 58.917 59.068 -0.151 17518
10708 1 19 . 1 1 87 87 THR CB C 506 70.055 70.055 71.267 -1.212 17518
10709 1 19 . 1 1 87 87 THR H H 506 7.906 7.906 8.732 -0.826 17518
10710 1 19 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.523 -0.517 17518
10711 1 19 . 1 1 88 88 PRO C C 507 176.975 176.975 176.612 0.363 17518
10712 1 19 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.362 0.636 17518
10713 1 19 . 1 1 88 88 PRO CB C 507 32.374 32.374 33.303 -0.929 17518
10714 1 19 . 1 1 89 89 GLY N N 508 108.823 108.823 109.020 -0.197 17518
10715 1 19 . 1 1 89 89 GLY C C 508 173.757 173.757 173.914 -0.157 17518
10716 1 19 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.132 -0.054 17518
10717 1 19 . 1 1 89 89 GLY H H 508 8.294 8.294 8.155 0.139 17518
10718 1 19 . 1 1 90 90 ASN N N 509 117.850 117.850 118.235 -0.385 17518
10719 1 19 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.499 0.224 17518
10720 1 19 . 1 1 90 90 ASN C C 509 176.078 176.078 174.632 1.446 17518
10721 1 19 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.538 -0.632 17518
10722 1 19 . 1 1 90 90 ASN CB C 509 39.922 39.922 38.955 0.967 17518
10723 1 19 . 1 1 90 90 ASN H H 509 8.434 8.434 8.696 -0.262 17518
10724 1 19 . 1 1 91 91 SER N N 510 114.973 114.973 117.038 -2.065 17518
10725 1 19 . 1 1 91 91 SER HA H 510 4.133 4.133 4.216 -0.083 17518
10726 1 19 . 1 1 91 91 SER C C 510 174.773 174.773 174.080 0.693 17518
10727 1 19 . 1 1 91 91 SER CA C 510 58.662 58.662 60.334 -1.672 17518
10728 1 19 . 1 1 91 91 SER CB C 510 62.209 62.209 62.139 0.070 17518
10729 1 19 . 1 1 91 91 SER H H 510 8.819 8.819 8.852 -0.033 17518
10730 1 19 . 1 1 92 92 GLY N N 511 108.552 108.552 110.612 -2.060 17518
10731 1 19 . 1 1 92 92 GLY C C 511 174.613 174.613 173.738 0.875 17518
10732 1 19 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.272 -0.008 17518
10733 1 19 . 1 1 92 92 GLY H H 511 8.472 8.472 8.468 0.004 17518
10734 1 19 . 1 1 93 93 ASN N N 512 119.035 119.035 119.776 -0.741 17518
10735 1 19 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.962 -0.192 17518
10736 1 19 . 1 1 93 93 ASN C C 512 174.627 174.627 173.310 1.317 17518
10737 1 19 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.102 0.731 17518
10738 1 19 . 1 1 93 93 ASN CB C 512 39.771 39.771 41.222 -1.451 17518
10739 1 19 . 1 1 93 93 ASN H H 512 7.985 7.985 7.760 0.225 17518
10740 1 19 . 1 1 94 94 ALA N N 513 123.854 123.854 121.354 2.500 17518
10741 1 19 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.589 0.015 17518
10742 1 19 . 1 1 94 94 ALA C C 513 178.511 178.511 176.413 2.098 17518
10743 1 19 . 1 1 94 94 ALA CA C 513 52.699 52.699 52.463 0.236 17518
10744 1 19 . 1 1 94 94 ALA CB C 513 20.408 20.408 19.965 0.443 17518
10745 1 19 . 1 1 94 94 ALA H H 513 8.442 8.442 8.657 -0.215 17518
10746 1 19 . 1 1 95 95 GLY N N 514 108.880 108.880 112.635 -3.755 17518
10747 1 19 . 1 1 95 95 GLY C C 514 173.104 173.104 174.426 -1.322 17518
10748 1 19 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.294 -0.398 17518
10749 1 19 . 1 1 95 95 GLY H H 514 8.353 8.353 8.597 -0.244 17518
10750 1 19 . 1 1 96 96 THR N N 515 110.444 110.444 116.894 -6.450 17518
10751 1 19 . 1 1 96 96 THR HA H 515 4.504 4.504 4.692 -0.188 17518
10752 1 19 . 1 1 96 96 THR C C 515 173.214 173.214 173.733 -0.519 17518
10753 1 19 . 1 1 96 96 THR CA C 515 60.947 60.947 61.041 -0.094 17518
10754 1 19 . 1 1 96 96 THR CB C 515 72.111 72.111 70.500 1.611 17518
10755 1 19 . 1 1 96 96 THR H H 515 7.839 7.839 8.692 -0.853 17518
10756 1 19 . 1 1 97 97 ILE N N 516 126.770 126.770 124.784 1.986 17518
10757 1 19 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.437 -0.466 17518
10758 1 19 . 1 1 97 97 ILE C C 516 176.061 176.061 176.097 -0.036 17518
10759 1 19 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.764 1.281 17518
10760 1 19 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.717 -0.975 17518
10761 1 19 . 1 1 97 97 ILE H H 516 8.733 8.733 8.505 0.228 17518
10762 1 19 . 1 1 98 98 THR N N 517 121.307 121.307 120.929 0.378 17518
10763 1 19 . 1 1 98 98 THR HA H 517 4.693 4.693 4.712 -0.019 17518
10764 1 19 . 1 1 98 98 THR C C 517 173.622 173.622 173.629 -0.007 17518
10765 1 19 . 1 1 98 98 THR CA C 517 59.692 59.692 59.903 -0.211 17518
10766 1 19 . 1 1 98 98 THR CB C 517 71.290 71.290 71.268 0.022 17518
10767 1 19 . 1 1 98 98 THR H H 517 9.270 9.270 9.142 0.128 17518
10768 1 19 . 1 1 99 99 SER N N 518 118.544 118.544 119.050 -0.506 17518
10769 1 19 . 1 1 99 99 SER HA H 518 4.548 4.548 4.675 -0.127 17518
10770 1 19 . 1 1 99 99 SER C C 518 175.405 175.405 173.841 1.564 17518
10771 1 19 . 1 1 99 99 SER CA C 518 59.662 59.662 58.258 1.404 17518
10772 1 19 . 1 1 99 99 SER CB C 518 63.836 63.836 63.082 0.754 17518
10773 1 19 . 1 1 99 99 SER H H 518 8.667 8.667 8.607 0.060 17518
10774 1 19 . 1 1 100 100 GLY N N 519 113.982 113.982 111.442 2.540 17518
10775 1 19 . 1 1 100 100 GLY C C 519 171.714 171.714 172.701 -0.987 17518
10776 1 19 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.263 -0.190 17518
10777 1 19 . 1 1 100 100 GLY H H 519 8.443 8.443 7.528 0.915 17518
10778 1 19 . 1 1 101 101 ALA N N 520 120.741 120.741 125.565 -4.824 17518
10779 1 19 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.598 -0.991 17518
10780 1 19 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.979 -1.516 17518
10781 1 19 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.419 -1.288 17518
10782 1 19 . 1 1 101 101 ALA H H 520 7.908 7.908 8.233 -0.325 17518
10783 1 19 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.372 -0.330 17518
10784 1 19 . 1 1 102 102 PRO C C 521 175.467 175.467 176.411 -0.944 17518
10785 1 19 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.750 -0.052 17518
10786 1 19 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.260 -0.396 17518
10787 1 19 . 1 1 103 103 ALA N N 522 122.930 122.930 125.838 -2.908 17518
10788 1 19 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.470 -0.357 17518
10789 1 19 . 1 1 103 103 ALA C C 522 177.009 177.009 177.010 -0.001 17518
10790 1 19 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.884 0.072 17518
10791 1 19 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.197 1.492 17518
10792 1 19 . 1 1 103 103 ALA H H 522 7.993 7.993 8.514 -0.521 17518
10793 1 20 . 1 1 2 2 GLY C C 421 174.167 174.167 175.381 -1.214 17518
10794 1 20 . 1 1 2 2 GLY CA C 421 45.259 45.259 44.822 0.438 17518
10795 1 20 . 1 1 3 3 THR N N 422 113.380 113.380 116.807 -3.427 17518
10796 1 20 . 1 1 3 3 THR HA H 422 4.348 4.348 4.375 -0.027 17518
10797 1 20 . 1 1 3 3 THR C C 422 174.773 174.773 174.283 0.490 17518
10798 1 20 . 1 1 3 3 THR CA C 422 61.357 61.357 62.755 -1.398 17518
10799 1 20 . 1 1 3 3 THR CB C 422 69.791 69.791 69.785 0.006 17518
10800 1 20 . 1 1 3 3 THR H H 422 8.099 8.099 7.796 0.303 17518
10801 1 20 . 1 1 4 4 GLY N N 423 113.124 113.124 111.037 2.087 17518
10802 1 20 . 1 1 4 4 GLY C C 423 173.909 173.909 173.119 0.790 17518
10803 1 20 . 1 1 4 4 GLY CA C 423 45.058 45.058 44.771 0.287 17518
10804 1 20 . 1 1 4 4 GLY H H 423 8.770 8.770 8.323 0.447 17518
10805 1 20 . 1 1 5 5 ASN N N 424 121.226 121.226 119.099 2.127 17518
10806 1 20 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.647 -0.073 17518
10807 1 20 . 1 1 5 5 ASN C C 424 174.450 174.450 174.180 0.270 17518
10808 1 20 . 1 1 5 5 ASN CA C 424 53.237 53.237 54.093 -0.856 17518
10809 1 20 . 1 1 5 5 ASN CB C 424 38.520 38.520 39.607 -1.087 17518
10810 1 20 . 1 1 5 5 ASN H H 424 8.988 8.988 8.282 0.706 17518
10811 1 20 . 1 1 6 6 LYS N N 425 119.587 119.587 120.539 -0.952 17518
10812 1 20 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.547 0.582 17518
10813 1 20 . 1 1 6 6 LYS C C 425 176.281 176.281 174.799 1.482 17518
10814 1 20 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.362 -0.968 17518
10815 1 20 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.636 -0.188 17518
10816 1 20 . 1 1 6 6 LYS H H 425 8.354 8.354 8.288 0.066 17518
10817 1 20 . 1 1 7 7 VAL N N 426 124.203 124.203 126.365 -2.162 17518
10818 1 20 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.959 -0.497 17518
10819 1 20 . 1 1 7 7 VAL C C 426 174.564 174.564 174.794 -0.230 17518
10820 1 20 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.847 0.522 17518
10821 1 20 . 1 1 7 7 VAL CB C 426 34.432 34.432 34.374 0.058 17518
10822 1 20 . 1 1 7 7 VAL H H 426 8.774 8.774 8.982 -0.208 17518
10823 1 20 . 1 1 8 8 THR N N 427 125.363 125.363 124.049 1.314 17518
10824 1 20 . 1 1 8 8 THR HA H 427 5.326 5.326 5.207 0.119 17518
10825 1 20 . 1 1 8 8 THR C C 427 173.108 173.108 173.278 -0.170 17518
10826 1 20 . 1 1 8 8 THR CA C 427 61.752 61.752 61.981 -0.229 17518
10827 1 20 . 1 1 8 8 THR CB C 427 69.860 69.860 70.652 -0.792 17518
10828 1 20 . 1 1 8 8 THR H H 427 8.851 8.851 9.120 -0.269 17518
10829 1 20 . 1 1 9 9 ILE N N 428 127.015 127.015 125.841 1.174 17518
10830 1 20 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.872 -0.216 17518
10831 1 20 . 1 1 9 9 ILE C C 428 175.404 175.404 174.296 1.108 17518
10832 1 20 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.456 -0.576 17518
10833 1 20 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.887 1.304 17518
10834 1 20 . 1 1 9 9 ILE H H 428 8.628 8.628 9.324 -0.696 17518
10835 1 20 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.422 -0.253 17518
10836 1 20 . 1 1 10 10 TYR C C 429 174.161 174.161 174.986 -0.825 17518
10837 1 20 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.347 2.904 17518
10838 1 20 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.180 1.203 17518
10839 1 20 . 1 1 10 10 TYR H H 429 9.069 9.069 9.254 -0.185 17518
10840 1 20 . 1 1 11 11 TYR N N 430 125.905 125.905 126.084 -0.179 17518
10841 1 20 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.715 -0.725 17518
10842 1 20 . 1 1 11 11 TYR C C 430 173.359 173.359 174.352 -0.993 17518
10843 1 20 . 1 1 11 11 TYR CA C 430 56.630 56.630 54.876 1.754 17518
10844 1 20 . 1 1 11 11 TYR CB C 430 42.942 42.942 42.060 0.882 17518
10845 1 20 . 1 1 11 11 TYR H H 430 9.500 9.500 9.025 0.475 17518
10846 1 20 . 1 1 12 12 LYS N N 431 131.688 131.688 125.493 6.195 17518
10847 1 20 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.382 0.980 17518
10848 1 20 . 1 1 12 12 LYS C C 431 172.929 172.929 174.535 -1.606 17518
10849 1 20 . 1 1 12 12 LYS CA C 431 55.867 55.867 54.913 0.954 17518
10850 1 20 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.352 0.819 17518
10851 1 20 . 1 1 12 12 LYS H H 431 8.410 8.410 7.910 0.500 17518
10852 1 20 . 1 1 13 13 LYS N N 432 125.124 125.124 125.717 -0.593 17518
10853 1 20 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.839 0.033 17518
10854 1 20 . 1 1 13 13 LYS C C 432 180.107 180.107 176.230 3.877 17518
10855 1 20 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.307 -3.799 17518
10856 1 20 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.227 -0.573 17518
10857 1 20 . 1 1 14 14 GLY N N 433 112.761 112.761 112.404 0.357 17518
10858 1 20 . 1 1 14 14 GLY C C 433 174.180 174.180 174.351 -0.171 17518
10859 1 20 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.236 1.107 17518
10860 1 20 . 1 1 14 14 GLY H H 433 7.585 7.585 8.511 -0.926 17518
10861 1 20 . 1 1 15 15 PHE N N 434 121.529 121.529 118.104 3.425 17518
10862 1 20 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.696 -0.005 17518
10863 1 20 . 1 1 15 15 PHE C C 434 175.899 175.899 175.437 0.462 17518
10864 1 20 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.062 -1.905 17518
10865 1 20 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.652 -2.180 17518
10866 1 20 . 1 1 15 15 PHE H H 434 8.454 8.454 7.990 0.464 17518
10867 1 20 . 1 1 16 16 ASN N N 435 117.583 117.583 113.605 3.978 17518
10868 1 20 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.671 -0.272 17518
10869 1 20 . 1 1 16 16 ASN C C 435 176.259 176.259 173.793 2.466 17518
10870 1 20 . 1 1 16 16 ASN CA C 435 56.521 56.521 53.993 2.528 17518
10871 1 20 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.683 0.683 17518
10872 1 20 . 1 1 16 16 ASN H H 435 8.513 8.513 8.351 0.162 17518
10873 1 20 . 1 1 17 17 SER N N 436 112.889 112.889 117.214 -4.325 17518
10874 1 20 . 1 1 17 17 SER HA H 436 4.798 4.798 4.972 -0.174 17518
10875 1 20 . 1 1 17 17 SER C C 436 171.151 171.151 171.860 -0.709 17518
10876 1 20 . 1 1 17 17 SER CA C 436 53.721 53.721 56.034 -2.313 17518
10877 1 20 . 1 1 17 17 SER CB C 436 63.834 63.834 63.201 0.633 17518
10878 1 20 . 1 1 17 17 SER H H 436 8.315 8.315 8.393 -0.078 17518
10879 1 20 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.613 -0.051 17518
10880 1 20 . 1 1 18 18 PRO C C 437 175.812 175.812 175.521 0.291 17518
10881 1 20 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.549 0.068 17518
10882 1 20 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.602 0.172 17518
10883 1 20 . 1 1 19 19 TYR N N 438 122.060 122.060 117.756 4.304 17518
10884 1 20 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.806 0.024 17518
10885 1 20 . 1 1 19 19 TYR C C 438 174.732 174.732 174.871 -0.139 17518
10886 1 20 . 1 1 19 19 TYR CA C 438 56.729 56.729 57.228 -0.499 17518
10887 1 20 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.599 -0.841 17518
10888 1 20 . 1 1 19 19 TYR H H 438 9.072 9.072 8.262 0.810 17518
10889 1 20 . 1 1 20 20 ILE N N 439 118.018 118.018 120.038 -2.020 17518
10890 1 20 . 1 1 20 20 ILE HA H 439 4.988 4.988 5.076 -0.088 17518
10891 1 20 . 1 1 20 20 ILE C C 439 171.341 171.341 174.228 -2.887 17518
10892 1 20 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.570 -0.997 17518
10893 1 20 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.453 0.205 17518
10894 1 20 . 1 1 20 20 ILE H H 439 9.164 9.164 9.211 -0.047 17518
10895 1 20 . 1 1 21 21 HIS N N 440 133.346 133.346 129.418 3.928 17518
10896 1 20 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.965 0.410 17518
10897 1 20 . 1 1 21 21 HIS C C 440 174.947 174.947 174.232 0.715 17518
10898 1 20 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.555 -0.754 17518
10899 1 20 . 1 1 21 21 HIS CB C 440 35.001 35.001 32.059 2.942 17518
10900 1 20 . 1 1 21 21 HIS H H 440 8.843 8.843 8.460 0.383 17518
10901 1 20 . 1 1 22 22 TYR N N 441 121.863 121.863 122.580 -0.717 17518
10902 1 20 . 1 1 22 22 TYR HA H 441 6.057 6.057 6.123 -0.066 17518
10903 1 20 . 1 1 22 22 TYR C C 441 173.567 173.567 173.718 -0.151 17518
10904 1 20 . 1 1 22 22 TYR CA C 441 56.693 56.693 54.880 1.813 17518
10905 1 20 . 1 1 22 22 TYR CB C 441 42.796 42.796 42.218 0.578 17518
10906 1 20 . 1 1 22 22 TYR H H 441 8.231 8.231 7.924 0.307 17518
10907 1 20 . 1 1 23 23 ARG N N 442 116.788 116.788 120.478 -3.690 17518
10908 1 20 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.797 -0.166 17518
10909 1 20 . 1 1 23 23 ARG CA C 442 52.360 52.360 53.547 -1.188 17518
10910 1 20 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.558 -1.244 17518
10911 1 20 . 1 1 23 23 ARG H H 442 8.456 8.456 9.189 -0.733 17518
10912 1 20 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.508 -0.001 17518
10913 1 20 . 1 1 24 24 PRO C C 443 176.258 176.258 176.009 0.249 17518
10914 1 20 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.909 0.335 17518
10915 1 20 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.246 -0.049 17518
10916 1 20 . 1 1 25 25 ALA N N 444 125.666 125.666 126.335 -0.669 17518
10917 1 20 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.962 -0.004 17518
10918 1 20 . 1 1 25 25 ALA C C 444 179.221 179.221 178.106 1.115 17518
10919 1 20 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.589 0.591 17518
10920 1 20 . 1 1 25 25 ALA CB C 444 18.420 18.420 18.483 -0.063 17518
10921 1 20 . 1 1 25 25 ALA H H 444 8.230 8.230 8.192 0.038 17518
10922 1 20 . 1 1 26 26 GLY N N 445 112.217 112.217 110.245 1.972 17518
10923 1 20 . 1 1 26 26 GLY C C 445 174.734 174.734 174.468 0.266 17518
10924 1 20 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.682 0.980 17518
10925 1 20 . 1 1 26 26 GLY H H 445 8.591 8.591 8.065 0.526 17518
10926 1 20 . 1 1 27 27 GLY N N 446 109.489 109.489 109.168 0.321 17518
10927 1 20 . 1 1 27 27 GLY C C 446 173.379 173.379 172.824 0.555 17518
10928 1 20 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.533 -0.416 17518
10929 1 20 . 1 1 27 27 GLY H H 446 8.380 8.380 8.412 -0.032 17518
10930 1 20 . 1 1 28 28 SER N N 447 117.275 117.275 113.910 3.365 17518
10931 1 20 . 1 1 28 28 SER HA H 447 4.637 4.637 4.477 0.160 17518
10932 1 20 . 1 1 28 28 SER C C 447 173.759 173.759 173.097 0.662 17518
10933 1 20 . 1 1 28 28 SER CA C 447 57.410 57.410 57.641 -0.231 17518
10934 1 20 . 1 1 28 28 SER CB C 447 65.022 65.022 65.474 -0.452 17518
10935 1 20 . 1 1 28 28 SER H H 447 8.585 8.585 8.204 0.381 17518
10936 1 20 . 1 1 29 29 TRP N N 448 123.426 123.426 122.802 0.624 17518
10937 1 20 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.754 -0.361 17518
10938 1 20 . 1 1 29 29 TRP C C 448 178.997 178.997 177.565 1.432 17518
10939 1 20 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.669 0.497 17518
10940 1 20 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.027 0.579 17518
10941 1 20 . 1 1 29 29 TRP H H 448 8.346 8.346 8.462 -0.116 17518
10942 1 20 . 1 1 30 30 THR N N 449 111.168 111.168 111.847 -0.679 17518
10943 1 20 . 1 1 30 30 THR HA H 449 3.978 3.978 4.434 -0.456 17518
10944 1 20 . 1 1 30 30 THR C C 449 174.707 174.707 174.179 0.528 17518
10945 1 20 . 1 1 30 30 THR CA C 449 61.317 61.317 60.600 0.717 17518
10946 1 20 . 1 1 30 30 THR CB C 449 70.526 70.526 70.336 0.190 17518
10947 1 20 . 1 1 30 30 THR H H 449 7.888 7.888 8.651 -0.763 17518
10948 1 20 . 1 1 31 31 ALA N N 450 122.982 122.982 123.758 -0.776 17518
10949 1 20 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.254 0.145 17518
10950 1 20 . 1 1 31 31 ALA C C 450 178.443 178.443 176.854 1.589 17518
10951 1 20 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.592 0.292 17518
10952 1 20 . 1 1 31 31 ALA CB C 450 18.061 18.061 17.893 0.168 17518
10953 1 20 . 1 1 31 31 ALA H H 450 8.383 8.383 8.390 -0.007 17518
10954 1 20 . 1 1 32 32 ALA N N 451 129.780 129.780 127.556 2.224 17518
10955 1 20 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.129 -0.271 17518
10956 1 20 . 1 1 32 32 ALA C C 451 175.997 175.997 175.870 0.127 17518
10957 1 20 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.698 1.113 17518
10958 1 20 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.864 -2.618 17518
10959 1 20 . 1 1 32 32 ALA H H 451 8.778 8.778 8.065 0.713 17518
10960 1 20 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.214 -0.370 17518
10961 1 20 . 1 1 33 33 PRO C C 452 173.297 173.297 176.938 -3.641 17518
10962 1 20 . 1 1 33 33 PRO CA C 452 63.732 63.732 61.989 1.743 17518
10963 1 20 . 1 1 33 33 PRO CB C 452 33.646 33.646 33.077 0.569 17518
10964 1 20 . 1 1 34 34 GLY N N 453 112.150 112.150 111.555 0.595 17518
10965 1 20 . 1 1 34 34 GLY C C 453 174.011 174.011 174.233 -0.222 17518
10966 1 20 . 1 1 34 34 GLY CA C 453 43.995 43.995 45.956 -1.961 17518
10967 1 20 . 1 1 34 34 GLY H H 453 8.685 8.685 7.452 1.233 17518
10968 1 20 . 1 1 35 35 VAL N N 454 123.276 123.276 120.883 2.393 17518
10969 1 20 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.387 -0.041 17518
10970 1 20 . 1 1 35 35 VAL C C 454 174.782 174.782 174.563 0.219 17518
10971 1 20 . 1 1 35 35 VAL CA C 454 60.959 60.959 59.389 1.571 17518
10972 1 20 . 1 1 35 35 VAL CB C 454 34.857 34.857 35.575 -0.719 17518
10973 1 20 . 1 1 35 35 VAL H H 454 9.287 9.287 8.157 1.130 17518
10974 1 20 . 1 1 36 36 LYS N N 455 128.135 128.135 128.338 -0.203 17518
10975 1 20 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.236 -1.175 17518
10976 1 20 . 1 1 36 36 LYS C C 455 176.438 176.438 176.015 0.423 17518
10977 1 20 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.217 1.006 17518
10978 1 20 . 1 1 36 36 LYS CB C 455 32.619 32.619 32.255 0.364 17518
10979 1 20 . 1 1 36 36 LYS H H 455 8.443 8.443 8.479 -0.036 17518
10980 1 20 . 1 1 37 37 MET N N 456 124.850 124.850 127.362 -2.512 17518
10981 1 20 . 1 1 37 37 MET HA H 456 4.207 4.207 4.204 0.003 17518
10982 1 20 . 1 1 37 37 MET C C 456 175.590 175.590 176.578 -0.988 17518
10983 1 20 . 1 1 37 37 MET CA C 456 56.409 56.409 57.531 -1.121 17518
10984 1 20 . 1 1 37 37 MET CB C 456 34.978 34.978 32.010 2.968 17518
10985 1 20 . 1 1 37 37 MET H H 456 8.121 8.121 8.301 -0.180 17518
10986 1 20 . 1 1 38 38 GLN N N 457 121.555 121.555 122.210 -0.655 17518
10987 1 20 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.124 0.269 17518
10988 1 20 . 1 1 38 38 GLN C C 457 175.737 175.737 175.820 -0.083 17518
10989 1 20 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.780 -1.997 17518
10990 1 20 . 1 1 38 38 GLN CB C 457 30.307 30.307 29.056 1.250 17518
10991 1 20 . 1 1 38 38 GLN H H 457 8.441 8.441 8.750 -0.309 17518
10992 1 20 . 1 1 39 39 ASP N N 458 121.629 121.629 118.773 2.856 17518
10993 1 20 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.714 0.017 17518
10994 1 20 . 1 1 39 39 ASP C C 458 176.733 176.733 175.228 1.505 17518
10995 1 20 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.057 2.200 17518
10996 1 20 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.806 -0.448 17518
10997 1 20 . 1 1 39 39 ASP H H 458 8.720 8.720 8.436 0.284 17518
10998 1 20 . 1 1 40 40 ALA N N 459 122.646 122.646 125.161 -2.515 17518
10999 1 20 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.659 -0.367 17518
11000 1 20 . 1 1 40 40 ALA C C 459 175.201 175.201 177.742 -2.541 17518
11001 1 20 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.264 0.292 17518
11002 1 20 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.788 2.160 17518
11003 1 20 . 1 1 40 40 ALA H H 459 8.423 8.423 8.805 -0.382 17518
11004 1 20 . 1 1 41 41 GLU N N 460 120.190 120.190 126.233 -6.043 17518
11005 1 20 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.918 0.389 17518
11006 1 20 . 1 1 41 41 GLU C C 460 174.722 174.722 177.727 -3.005 17518
11007 1 20 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.408 -0.889 17518
11008 1 20 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.128 -1.792 17518
11009 1 20 . 1 1 41 41 GLU H H 460 10.341 10.341 8.873 1.468 17518
11010 1 20 . 1 1 42 42 ILE N N 461 119.473 119.473 118.503 0.970 17518
11011 1 20 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.665 0.646 17518
11012 1 20 . 1 1 42 42 ILE C C 461 174.959 174.959 176.765 -1.806 17518
11013 1 20 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.259 -4.293 17518
11014 1 20 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.183 2.562 17518
11015 1 20 . 1 1 42 42 ILE H H 461 6.466 6.466 7.955 -1.489 17518
11016 1 20 . 1 1 43 43 SER N N 462 121.292 121.292 111.315 9.977 17518
11017 1 20 . 1 1 43 43 SER HA H 462 4.297 4.297 4.457 -0.160 17518
11018 1 20 . 1 1 43 43 SER C C 462 175.624 175.624 173.373 2.251 17518
11019 1 20 . 1 1 43 43 SER CA C 462 60.112 60.112 58.324 1.788 17518
11020 1 20 . 1 1 43 43 SER CB C 462 63.116 63.116 63.187 -0.071 17518
11021 1 20 . 1 1 43 43 SER H H 462 8.584 8.584 7.698 0.886 17518
11022 1 20 . 1 1 44 44 GLY N N 463 111.896 111.896 107.233 4.663 17518
11023 1 20 . 1 1 44 44 GLY C C 463 173.823 173.823 173.488 0.335 17518
11024 1 20 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.367 -0.488 17518
11025 1 20 . 1 1 44 44 GLY H H 463 8.623 8.623 7.911 0.712 17518
11026 1 20 . 1 1 45 45 TYR N N 464 116.379 116.379 119.795 -3.416 17518
11027 1 20 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.706 0.992 17518
11028 1 20 . 1 1 45 45 TYR C C 464 175.693 175.693 173.229 2.464 17518
11029 1 20 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.673 -0.062 17518
11030 1 20 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.550 -0.626 17518
11031 1 20 . 1 1 45 45 TYR H H 464 7.803 7.803 8.125 -0.322 17518
11032 1 20 . 1 1 46 46 ALA N N 465 126.206 126.206 120.189 6.017 17518
11033 1 20 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.401 -0.064 17518
11034 1 20 . 1 1 46 46 ALA C C 465 176.129 176.129 175.835 0.294 17518
11035 1 20 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.807 0.649 17518
11036 1 20 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.098 2.248 17518
11037 1 20 . 1 1 46 46 ALA H H 465 9.910 9.910 9.197 0.713 17518
11038 1 20 . 1 1 47 47 LYS N N 466 120.226 120.226 120.898 -0.672 17518
11039 1 20 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.246 0.426 17518
11040 1 20 . 1 1 47 47 LYS C C 466 173.880 173.880 174.722 -0.842 17518
11041 1 20 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.316 0.090 17518
11042 1 20 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.754 0.406 17518
11043 1 20 . 1 1 47 47 LYS H H 466 9.373 9.373 8.417 0.956 17518
11044 1 20 . 1 1 48 48 ILE N N 467 120.505 120.505 121.238 -0.733 17518
11045 1 20 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.606 -0.203 17518
11046 1 20 . 1 1 48 48 ILE C C 467 171.247 171.247 173.168 -1.921 17518
11047 1 20 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.580 -0.198 17518
11048 1 20 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.628 -0.094 17518
11049 1 20 . 1 1 48 48 ILE H H 467 8.085 8.085 8.950 -0.865 17518
11050 1 20 . 1 1 49 49 THR N N 468 122.247 122.247 124.738 -2.491 17518
11051 1 20 . 1 1 49 49 THR HA H 468 5.301 5.301 5.429 -0.128 17518
11052 1 20 . 1 1 49 49 THR C C 468 173.694 173.694 173.588 0.106 17518
11053 1 20 . 1 1 49 49 THR CA C 468 61.871 61.871 60.846 1.025 17518
11054 1 20 . 1 1 49 49 THR CB C 468 70.649 70.649 70.475 0.174 17518
11055 1 20 . 1 1 49 49 THR H H 468 7.954 7.954 8.245 -0.291 17518
11056 1 20 . 1 1 50 50 VAL N N 469 126.076 126.076 124.381 1.695 17518
11057 1 20 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.134 -0.023 17518
11058 1 20 . 1 1 50 50 VAL C C 469 173.826 173.826 174.144 -0.318 17518
11059 1 20 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.229 -0.030 17518
11060 1 20 . 1 1 50 50 VAL CB C 469 35.049 35.049 34.651 0.398 17518
11061 1 20 . 1 1 50 50 VAL H H 469 9.242 9.242 9.129 0.114 17518
11062 1 20 . 1 1 51 51 ASP N N 470 126.346 126.346 125.430 0.916 17518
11063 1 20 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.739 0.174 17518
11064 1 20 . 1 1 51 51 ASP C C 470 177.013 177.013 176.196 0.817 17518
11065 1 20 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.296 -1.282 17518
11066 1 20 . 1 1 51 51 ASP CB C 470 41.919 41.919 41.952 -0.033 17518
11067 1 20 . 1 1 51 51 ASP H H 470 8.476 8.476 8.494 -0.018 17518
11068 1 20 . 1 1 52 52 ILE N N 471 118.935 118.935 115.222 3.713 17518
11069 1 20 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.538 0.000 17518
11070 1 20 . 1 1 52 52 ILE C C 471 176.991 176.991 177.063 -0.072 17518
11071 1 20 . 1 1 52 52 ILE CA C 471 59.992 59.992 60.242 -0.250 17518
11072 1 20 . 1 1 52 52 ILE CB C 471 38.002 38.002 39.722 -1.720 17518
11073 1 20 . 1 1 52 52 ILE H H 471 8.728 8.728 8.348 0.380 17518
11074 1 20 . 1 1 53 53 GLY N N 472 114.498 114.498 111.370 3.128 17518
11075 1 20 . 1 1 53 53 GLY C C 472 174.971 174.971 174.776 0.195 17518
11076 1 20 . 1 1 53 53 GLY CA C 472 47.668 47.668 46.888 0.780 17518
11077 1 20 . 1 1 53 53 GLY H H 472 9.078 9.078 7.970 1.108 17518
11078 1 20 . 1 1 54 54 SER N N 473 120.546 120.546 116.586 3.960 17518
11079 1 20 . 1 1 54 54 SER HA H 473 4.426 4.426 4.008 0.418 17518
11080 1 20 . 1 1 54 54 SER C C 473 174.975 174.975 173.226 1.749 17518
11081 1 20 . 1 1 54 54 SER CA C 473 58.417 58.417 58.953 -0.536 17518
11082 1 20 . 1 1 54 54 SER CB C 473 63.632 63.632 63.299 0.333 17518
11083 1 20 . 1 1 54 54 SER H H 473 8.808 8.808 8.926 -0.118 17518
11084 1 20 . 1 1 55 55 ALA N N 474 125.402 125.402 122.696 2.706 17518
11085 1 20 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.745 -0.379 17518
11086 1 20 . 1 1 55 55 ALA C C 474 176.116 176.116 176.564 -0.448 17518
11087 1 20 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.062 1.310 17518
11088 1 20 . 1 1 55 55 ALA CB C 474 20.315 20.315 20.751 -0.436 17518
11089 1 20 . 1 1 55 55 ALA H H 474 7.738 7.738 7.553 0.185 17518
11090 1 20 . 1 1 56 56 SER N N 475 110.149 110.149 116.857 -6.708 17518
11091 1 20 . 1 1 56 56 SER HA H 475 4.539 4.539 4.380 0.159 17518
11092 1 20 . 1 1 56 56 SER C C 475 173.662 173.662 174.037 -0.375 17518
11093 1 20 . 1 1 56 56 SER CA C 475 58.121 58.121 59.717 -1.596 17518
11094 1 20 . 1 1 56 56 SER CB C 475 65.000 65.000 64.034 0.966 17518
11095 1 20 . 1 1 56 56 SER H H 475 8.756 8.756 8.693 0.063 17518
11096 1 20 . 1 1 57 57 GLN N N 476 117.023 117.023 117.598 -0.575 17518
11097 1 20 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.964 0.094 17518
11098 1 20 . 1 1 57 57 GLN C C 476 173.042 173.042 173.419 -0.377 17518
11099 1 20 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.226 -1.002 17518
11100 1 20 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.637 -0.028 17518
11101 1 20 . 1 1 57 57 GLN H H 476 7.139 7.139 7.396 -0.258 17518
11102 1 20 . 1 1 58 58 LEU N N 477 121.156 121.156 120.618 0.538 17518
11103 1 20 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.054 -0.308 17518
11104 1 20 . 1 1 58 58 LEU C C 477 173.922 173.922 173.999 -0.077 17518
11105 1 20 . 1 1 58 58 LEU CA C 477 53.508 53.508 53.808 -0.300 17518
11106 1 20 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.383 0.897 17518
11107 1 20 . 1 1 58 58 LEU H H 477 9.149 9.149 9.219 -0.070 17518
11108 1 20 . 1 1 59 59 GLU N N 478 126.375 126.375 124.154 2.221 17518
11109 1 20 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.096 0.260 17518
11110 1 20 . 1 1 59 59 GLU C C 478 175.481 175.481 175.050 0.431 17518
11111 1 20 . 1 1 59 59 GLU CA C 478 54.597 54.597 55.168 -0.571 17518
11112 1 20 . 1 1 59 59 GLU CB C 478 32.759 32.759 32.881 -0.122 17518
11113 1 20 . 1 1 59 59 GLU H H 478 8.558 8.558 9.005 -0.447 17518
11114 1 20 . 1 1 60 60 ALA N N 479 124.321 124.321 127.146 -2.825 17518
11115 1 20 . 1 1 60 60 ALA HA H 479 5.792 5.792 6.004 -0.212 17518
11116 1 20 . 1 1 60 60 ALA C C 479 174.955 174.955 175.396 -0.441 17518
11117 1 20 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.079 1.062 17518
11118 1 20 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.752 1.342 17518
11119 1 20 . 1 1 60 60 ALA H H 479 9.614 9.614 8.296 1.318 17518
11120 1 20 . 1 1 61 61 ALA N N 480 120.954 120.954 120.893 0.061 17518
11121 1 20 . 1 1 61 61 ALA HA H 480 4.794 4.794 4.811 -0.017 17518
11122 1 20 . 1 1 61 61 ALA C C 480 174.782 174.782 174.999 -0.217 17518
11123 1 20 . 1 1 61 61 ALA CA C 480 51.257 51.257 51.191 0.066 17518
11124 1 20 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.511 0.703 17518
11125 1 20 . 1 1 61 61 ALA H H 480 9.346 9.346 8.873 0.473 17518
11126 1 20 . 1 1 62 62 PHE N N 481 117.021 117.021 120.769 -3.748 17518
11127 1 20 . 1 1 62 62 PHE HA H 481 5.884 5.884 5.091 0.793 17518
11128 1 20 . 1 1 62 62 PHE C C 481 175.044 175.044 173.294 1.750 17518
11129 1 20 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.358 1.230 17518
11130 1 20 . 1 1 62 62 PHE CB C 481 43.263 43.263 43.048 0.215 17518
11131 1 20 . 1 1 62 62 PHE H H 481 8.351 8.351 8.553 -0.202 17518
11132 1 20 . 1 1 63 63 ASN N N 482 116.362 116.362 120.075 -3.713 17518
11133 1 20 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.667 0.441 17518
11134 1 20 . 1 1 63 63 ASN C C 482 172.088 172.088 173.098 -1.010 17518
11135 1 20 . 1 1 63 63 ASN CA C 482 53.710 53.710 52.231 1.479 17518
11136 1 20 . 1 1 63 63 ASN CB C 482 41.348 41.348 42.026 -0.678 17518
11137 1 20 . 1 1 63 63 ASN H H 482 9.077 9.077 8.392 0.685 17518
11138 1 20 . 1 1 64 64 ASP N N 483 118.002 118.002 118.365 -0.363 17518
11139 1 20 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.495 -0.311 17518
11140 1 20 . 1 1 64 64 ASP C C 483 177.271 177.271 174.924 2.347 17518
11141 1 20 . 1 1 64 64 ASP CA C 483 52.301 52.301 52.018 0.283 17518
11142 1 20 . 1 1 64 64 ASP CB C 483 40.887 40.887 40.072 0.815 17518
11143 1 20 . 1 1 64 64 ASP H H 483 7.482 7.482 8.032 -0.550 17518
11144 1 20 . 1 1 65 65 GLY N N 484 110.602 110.602 108.962 1.640 17518
11145 1 20 . 1 1 65 65 GLY C C 484 173.156 173.156 172.608 0.548 17518
11146 1 20 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.219 0.396 17518
11147 1 20 . 1 1 65 65 GLY H H 484 8.696 8.696 8.310 0.386 17518
11148 1 20 . 1 1 66 66 ASN N N 485 120.867 120.867 116.763 4.104 17518
11149 1 20 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.147 0.557 17518
11150 1 20 . 1 1 66 66 ASN C C 485 174.442 174.442 174.360 0.082 17518
11151 1 20 . 1 1 66 66 ASN CA C 485 52.311 52.311 53.444 -1.133 17518
11152 1 20 . 1 1 66 66 ASN CB C 485 39.491 39.491 37.719 1.772 17518
11153 1 20 . 1 1 66 66 ASN H H 485 8.371 8.371 8.058 0.313 17518
11154 1 20 . 1 1 67 67 ASN N N 486 113.518 113.518 118.500 -4.982 17518
11155 1 20 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.759 -0.581 17518
11156 1 20 . 1 1 67 67 ASN C C 486 173.845 173.845 174.437 -0.592 17518
11157 1 20 . 1 1 67 67 ASN CA C 486 54.486 54.486 54.704 -0.218 17518
11158 1 20 . 1 1 67 67 ASN CB C 486 38.267 38.267 38.700 -0.433 17518
11159 1 20 . 1 1 67 67 ASN H H 486 8.700 8.700 8.425 0.275 17518
11160 1 20 . 1 1 68 68 ASN N N 487 118.464 118.464 119.038 -0.574 17518
11161 1 20 . 1 1 68 68 ASN HA H 487 5.058 5.058 4.742 0.316 17518
11162 1 20 . 1 1 68 68 ASN C C 487 173.449 173.449 174.005 -0.556 17518
11163 1 20 . 1 1 68 68 ASN CA C 487 53.268 53.268 52.419 0.849 17518
11164 1 20 . 1 1 68 68 ASN CB C 487 38.813 38.813 37.315 1.498 17518
11165 1 20 . 1 1 68 68 ASN H H 487 7.975 7.975 8.110 -0.135 17518
11166 1 20 . 1 1 69 69 TRP N N 488 120.817 120.817 123.163 -2.346 17518
11167 1 20 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.789 0.033 17518
11168 1 20 . 1 1 69 69 TRP C C 488 176.268 176.268 176.237 0.031 17518
11169 1 20 . 1 1 69 69 TRP CA C 488 57.178 57.178 56.515 0.663 17518
11170 1 20 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.570 0.761 17518
11171 1 20 . 1 1 69 69 TRP H H 488 8.771 8.771 8.049 0.722 17518
11172 1 20 . 1 1 70 70 ASP N N 489 122.179 122.179 119.039 3.140 17518
11173 1 20 . 1 1 70 70 ASP HA H 489 5.196 5.196 4.968 0.228 17518
11174 1 20 . 1 1 70 70 ASP C C 489 175.441 175.441 174.606 0.835 17518
11175 1 20 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.367 -1.022 17518
11176 1 20 . 1 1 70 70 ASP CB C 489 41.968 41.968 42.923 -0.955 17518
11177 1 20 . 1 1 70 70 ASP H H 489 9.795 9.795 8.532 1.263 17518
11178 1 20 . 1 1 71 71 SER N N 490 117.314 117.314 117.357 -0.043 17518
11179 1 20 . 1 1 71 71 SER HA H 490 5.084 5.084 4.333 0.751 17518
11180 1 20 . 1 1 71 71 SER C C 490 175.277 175.277 174.355 0.922 17518
11181 1 20 . 1 1 71 71 SER CA C 490 56.099 56.099 57.247 -1.148 17518
11182 1 20 . 1 1 71 71 SER CB C 490 66.550 66.550 65.054 1.496 17518
11183 1 20 . 1 1 71 71 SER H H 490 9.238 9.238 8.210 1.028 17518
11184 1 20 . 1 1 72 72 ASN N N 491 122.911 122.911 124.476 -1.565 17518
11185 1 20 . 1 1 72 72 ASN HA H 491 4.367 4.367 4.160 0.207 17518
11186 1 20 . 1 1 72 72 ASN C C 491 176.857 176.857 175.157 1.700 17518
11187 1 20 . 1 1 72 72 ASN CA C 491 53.192 53.192 54.820 -1.628 17518
11188 1 20 . 1 1 72 72 ASN CB C 491 35.574 35.574 37.796 -2.222 17518
11189 1 20 . 1 1 72 72 ASN H H 491 8.536 8.536 7.261 1.275 17518
11190 1 20 . 1 1 73 73 ASN N N 492 116.146 116.146 115.193 0.953 17518
11191 1 20 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.486 -0.101 17518
11192 1 20 . 1 1 73 73 ASN C C 492 176.335 176.335 174.614 1.721 17518
11193 1 20 . 1 1 73 73 ASN CA C 492 54.488 54.488 55.701 -1.213 17518
11194 1 20 . 1 1 73 73 ASN CB C 492 37.331 37.331 37.950 -0.619 17518
11195 1 20 . 1 1 73 73 ASN H H 492 9.086 9.086 8.719 0.367 17518
11196 1 20 . 1 1 74 74 THR N N 493 110.420 110.420 112.437 -2.017 17518
11197 1 20 . 1 1 74 74 THR HA H 493 3.779 3.779 4.299 -0.520 17518
11198 1 20 . 1 1 74 74 THR C C 493 173.194 173.194 172.886 0.308 17518
11199 1 20 . 1 1 74 74 THR CA C 493 65.027 65.027 63.307 1.720 17518
11200 1 20 . 1 1 74 74 THR CB C 493 69.730 69.730 68.061 1.669 17518
11201 1 20 . 1 1 74 74 THR H H 493 7.782 7.782 8.258 -0.476 17518
11202 1 20 . 1 1 75 75 LYS N N 494 121.968 121.968 120.638 1.330 17518
11203 1 20 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.433 -0.366 17518
11204 1 20 . 1 1 75 75 LYS C C 494 177.470 177.470 174.684 2.786 17518
11205 1 20 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.487 1.522 17518
11206 1 20 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.370 -2.784 17518
11207 1 20 . 1 1 75 75 LYS H H 494 7.652 7.652 8.696 -1.044 17518
11208 1 20 . 1 1 76 76 ASN N N 495 108.525 108.525 114.864 -6.339 17518
11209 1 20 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.477 -0.547 17518
11210 1 20 . 1 1 76 76 ASN C C 495 172.085 172.085 173.330 -1.245 17518
11211 1 20 . 1 1 76 76 ASN CA C 495 54.413 54.413 52.999 1.414 17518
11212 1 20 . 1 1 76 76 ASN CB C 495 39.048 39.048 38.715 0.333 17518
11213 1 20 . 1 1 76 76 ASN H H 495 8.197 8.197 7.729 0.468 17518
11214 1 20 . 1 1 77 77 TYR N N 496 118.076 118.076 120.200 -2.124 17518
11215 1 20 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.696 0.097 17518
11216 1 20 . 1 1 77 77 TYR C C 496 175.074 175.074 174.903 0.171 17518
11217 1 20 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.006 0.665 17518
11218 1 20 . 1 1 77 77 TYR CB C 496 41.785 41.785 41.170 0.615 17518
11219 1 20 . 1 1 77 77 TYR H H 496 9.133 9.133 8.514 0.619 17518
11220 1 20 . 1 1 78 78 SER N N 497 116.400 116.400 115.415 0.985 17518
11221 1 20 . 1 1 78 78 SER HA H 497 5.345 5.345 4.746 0.599 17518
11222 1 20 . 1 1 78 78 SER C C 497 173.130 173.130 172.996 0.134 17518
11223 1 20 . 1 1 78 78 SER CA C 497 57.191 57.191 57.060 0.131 17518
11224 1 20 . 1 1 78 78 SER CB C 497 64.293 64.293 65.285 -0.992 17518
11225 1 20 . 1 1 78 78 SER H H 497 8.204 8.204 8.269 -0.065 17518
11226 1 20 . 1 1 79 79 PHE N N 498 123.023 123.023 122.349 0.674 17518
11227 1 20 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.961 -0.151 17518
11228 1 20 . 1 1 79 79 PHE C C 498 175.275 175.275 174.568 0.707 17518
11229 1 20 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.024 0.983 17518
11230 1 20 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.338 -0.349 17518
11231 1 20 . 1 1 79 79 PHE H H 498 9.054 9.054 9.099 -0.045 17518
11232 1 20 . 1 1 80 80 SER N N 499 117.002 117.002 115.916 1.086 17518
11233 1 20 . 1 1 80 80 SER HA H 499 4.997 4.997 4.993 0.004 17518
11234 1 20 . 1 1 80 80 SER C C 499 173.356 173.356 174.761 -1.405 17518
11235 1 20 . 1 1 80 80 SER CA C 499 57.357 57.357 57.017 0.340 17518
11236 1 20 . 1 1 80 80 SER CB C 499 65.301 65.301 64.939 0.362 17518
11237 1 20 . 1 1 80 80 SER H H 499 8.804 8.804 8.394 0.410 17518
11238 1 20 . 1 1 81 81 THR N N 500 112.529 112.529 114.660 -2.131 17518
11239 1 20 . 1 1 81 81 THR HA H 500 3.820 3.820 3.956 -0.136 17518
11240 1 20 . 1 1 81 81 THR C C 500 174.378 174.378 175.370 -0.992 17518
11241 1 20 . 1 1 81 81 THR CA C 500 64.220 64.220 63.487 0.733 17518
11242 1 20 . 1 1 81 81 THR CB C 500 69.475 69.475 68.977 0.498 17518
11243 1 20 . 1 1 81 81 THR H H 500 7.559 7.559 8.043 -0.484 17518
11244 1 20 . 1 1 82 82 GLY N N 501 112.234 112.234 114.890 -2.656 17518
11245 1 20 . 1 1 82 82 GLY C C 501 174.342 174.342 172.263 2.079 17518
11246 1 20 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.716 -0.921 17518
11247 1 20 . 1 1 82 82 GLY H H 501 8.409 8.409 8.472 -0.063 17518
11248 1 20 . 1 1 83 83 THR N N 502 120.411 120.411 118.743 1.668 17518
11249 1 20 . 1 1 83 83 THR HA H 502 5.487 5.487 5.148 0.339 17518
11250 1 20 . 1 1 83 83 THR C C 502 174.798 174.798 173.535 1.263 17518
11251 1 20 . 1 1 83 83 THR CA C 502 62.497 62.497 60.611 1.886 17518
11252 1 20 . 1 1 83 83 THR CB C 502 69.978 69.978 71.228 -1.250 17518
11253 1 20 . 1 1 83 83 THR H H 502 8.729 8.729 8.086 0.643 17518
11254 1 20 . 1 1 84 84 SER N N 503 123.023 123.023 121.095 1.928 17518
11255 1 20 . 1 1 84 84 SER HA H 503 5.409 5.409 5.011 0.398 17518
11256 1 20 . 1 1 84 84 SER C C 503 171.976 171.976 173.078 -1.102 17518
11257 1 20 . 1 1 84 84 SER CA C 503 58.675 58.675 56.568 2.107 17518
11258 1 20 . 1 1 84 84 SER CB C 503 67.607 67.607 66.118 1.489 17518
11259 1 20 . 1 1 84 84 SER H H 503 9.121 9.121 9.110 0.011 17518
11260 1 20 . 1 1 85 85 THR N N 504 118.388 118.388 118.273 0.115 17518
11261 1 20 . 1 1 85 85 THR HA H 504 5.241 5.241 5.234 0.007 17518
11262 1 20 . 1 1 85 85 THR C C 504 172.930 172.930 172.901 0.029 17518
11263 1 20 . 1 1 85 85 THR CA C 504 62.672 62.672 61.694 0.978 17518
11264 1 20 . 1 1 85 85 THR CB C 504 70.641 70.641 71.077 -0.436 17518
11265 1 20 . 1 1 85 85 THR H H 504 9.445 9.445 8.705 0.740 17518
11266 1 20 . 1 1 86 86 TYR N N 505 129.195 129.195 129.016 0.179 17518
11267 1 20 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.449 -0.340 17518
11268 1 20 . 1 1 86 86 TYR C C 505 173.063 173.063 173.765 -0.702 17518
11269 1 20 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.785 1.495 17518
11270 1 20 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.238 -0.578 17518
11271 1 20 . 1 1 86 86 TYR H H 505 9.858 9.858 9.691 0.167 17518
11272 1 20 . 1 1 87 87 THR N N 506 124.861 124.861 122.724 2.137 17518
11273 1 20 . 1 1 87 87 THR HA H 506 4.288 4.288 4.750 -0.462 17518
11274 1 20 . 1 1 87 87 THR C C 506 171.472 171.472 171.657 -0.185 17518
11275 1 20 . 1 1 87 87 THR CA C 506 58.917 58.917 59.064 -0.147 17518
11276 1 20 . 1 1 87 87 THR CB C 506 70.055 70.055 71.161 -1.106 17518
11277 1 20 . 1 1 87 87 THR H H 506 7.906 7.906 8.828 -0.922 17518
11278 1 20 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.494 -0.488 17518
11279 1 20 . 1 1 88 88 PRO C C 507 176.975 176.975 176.762 0.213 17518
11280 1 20 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.305 0.693 17518
11281 1 20 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.925 -0.550 17518
11282 1 20 . 1 1 89 89 GLY N N 508 108.823 108.823 109.616 -0.793 17518
11283 1 20 . 1 1 89 89 GLY C C 508 173.757 173.757 173.656 0.101 17518
11284 1 20 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.270 -0.192 17518
11285 1 20 . 1 1 89 89 GLY H H 508 8.294 8.294 8.310 -0.016 17518
11286 1 20 . 1 1 90 90 ASN N N 509 117.850 117.850 118.561 -0.711 17518
11287 1 20 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.702 0.021 17518
11288 1 20 . 1 1 90 90 ASN C C 509 176.078 176.078 175.182 0.896 17518
11289 1 20 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.797 -0.891 17518
11290 1 20 . 1 1 90 90 ASN CB C 509 39.922 39.922 39.280 0.642 17518
11291 1 20 . 1 1 90 90 ASN H H 509 8.434 8.434 7.966 0.468 17518
11292 1 20 . 1 1 91 91 SER N N 510 114.973 114.973 117.601 -2.628 17518
11293 1 20 . 1 1 91 91 SER HA H 510 4.133 4.133 4.104 0.029 17518
11294 1 20 . 1 1 91 91 SER C C 510 174.773 174.773 175.699 -0.926 17518
11295 1 20 . 1 1 91 91 SER CA C 510 58.662 58.662 60.317 -1.655 17518
11296 1 20 . 1 1 91 91 SER CB C 510 62.209 62.209 62.554 -0.345 17518
11297 1 20 . 1 1 91 91 SER H H 510 8.819 8.819 8.742 0.077 17518
11298 1 20 . 1 1 92 92 GLY N N 511 108.552 108.552 110.777 -2.225 17518
11299 1 20 . 1 1 92 92 GLY C C 511 174.613 174.613 174.572 0.041 17518
11300 1 20 . 1 1 92 92 GLY CA C 511 45.263 45.263 46.321 -1.058 17518
11301 1 20 . 1 1 92 92 GLY H H 511 8.472 8.472 8.412 0.060 17518
11302 1 20 . 1 1 93 93 ASN N N 512 119.035 119.035 117.547 1.488 17518
11303 1 20 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.909 -0.139 17518
11304 1 20 . 1 1 93 93 ASN C C 512 174.627 174.627 173.991 0.636 17518
11305 1 20 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.343 0.490 17518
11306 1 20 . 1 1 93 93 ASN CB C 512 39.771 39.771 41.121 -1.350 17518
11307 1 20 . 1 1 93 93 ASN H H 512 7.985 7.985 7.731 0.254 17518
11308 1 20 . 1 1 94 94 ALA N N 513 123.854 123.854 122.777 1.077 17518
11309 1 20 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.574 0.030 17518
11310 1 20 . 1 1 94 94 ALA C C 513 178.511 178.511 176.897 1.614 17518
11311 1 20 . 1 1 94 94 ALA CA C 513 52.699 52.699 51.888 0.811 17518
11312 1 20 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.271 0.137 17518
11313 1 20 . 1 1 94 94 ALA H H 513 8.442 8.442 8.452 -0.010 17518
11314 1 20 . 1 1 95 95 GLY N N 514 108.880 108.880 112.383 -3.503 17518
11315 1 20 . 1 1 95 95 GLY C C 514 173.104 173.104 174.373 -1.269 17518
11316 1 20 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.716 -0.821 17518
11317 1 20 . 1 1 95 95 GLY H H 514 8.353 8.353 8.386 -0.033 17518
11318 1 20 . 1 1 96 96 THR N N 515 110.444 110.444 116.849 -6.405 17518
11319 1 20 . 1 1 96 96 THR HA H 515 4.504 4.504 4.613 -0.109 17518
11320 1 20 . 1 1 96 96 THR C C 515 173.214 173.214 174.102 -0.888 17518
11321 1 20 . 1 1 96 96 THR CA C 515 60.947 60.947 61.128 -0.181 17518
11322 1 20 . 1 1 96 96 THR CB C 515 72.111 72.111 70.395 1.716 17518
11323 1 20 . 1 1 96 96 THR H H 515 7.839 7.839 8.514 -0.675 17518
11324 1 20 . 1 1 97 97 ILE N N 516 126.770 126.770 125.266 1.504 17518
11325 1 20 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.358 -0.387 17518
11326 1 20 . 1 1 97 97 ILE C C 516 176.061 176.061 175.908 0.153 17518
11327 1 20 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.906 1.139 17518
11328 1 20 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.375 -0.633 17518
11329 1 20 . 1 1 97 97 ILE H H 516 8.733 8.733 8.537 0.196 17518
11330 1 20 . 1 1 98 98 THR N N 517 121.307 121.307 119.158 2.149 17518
11331 1 20 . 1 1 98 98 THR HA H 517 4.693 4.693 4.762 -0.069 17518
11332 1 20 . 1 1 98 98 THR C C 517 173.622 173.622 173.393 0.229 17518
11333 1 20 . 1 1 98 98 THR CA C 517 59.692 59.692 59.632 0.060 17518
11334 1 20 . 1 1 98 98 THR CB C 517 71.290 71.290 70.462 0.828 17518
11335 1 20 . 1 1 98 98 THR H H 517 9.270 9.270 9.050 0.220 17518
11336 1 20 . 1 1 99 99 SER N N 518 118.544 118.544 117.351 1.193 17518
11337 1 20 . 1 1 99 99 SER HA H 518 4.548 4.548 4.666 -0.118 17518
11338 1 20 . 1 1 99 99 SER C C 518 175.405 175.405 174.160 1.245 17518
11339 1 20 . 1 1 99 99 SER CA C 518 59.662 59.662 56.837 2.825 17518
11340 1 20 . 1 1 99 99 SER CB C 518 63.836 63.836 62.179 1.657 17518
11341 1 20 . 1 1 99 99 SER H H 518 8.667 8.667 8.609 0.058 17518
11342 1 20 . 1 1 100 100 GLY N N 519 113.982 113.982 110.542 3.440 17518
11343 1 20 . 1 1 100 100 GLY C C 519 171.714 171.714 173.027 -1.313 17518
11344 1 20 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.411 -0.338 17518
11345 1 20 . 1 1 100 100 GLY H H 519 8.443 8.443 7.433 1.010 17518
11346 1 20 . 1 1 101 101 ALA N N 520 120.741 120.741 126.167 -5.426 17518
11347 1 20 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.820 -1.213 17518
11348 1 20 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.813 -1.350 17518
11349 1 20 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.093 -0.962 17518
11350 1 20 . 1 1 101 101 ALA H H 520 7.908 7.908 8.281 -0.373 17518
11351 1 20 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.359 -0.317 17518
11352 1 20 . 1 1 102 102 PRO C C 521 175.467 175.467 176.600 -1.133 17518
11353 1 20 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.680 0.018 17518
11354 1 20 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.299 -0.435 17518
11355 1 20 . 1 1 103 103 ALA N N 522 122.930 122.930 126.016 -3.086 17518
11356 1 20 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.511 -0.398 17518
11357 1 20 . 1 1 103 103 ALA C C 522 177.009 177.009 177.312 -0.303 17518
11358 1 20 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.686 0.270 17518
11359 1 20 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.248 1.441 17518
11360 1 20 . 1 1 103 103 ALA H H 522 7.993 7.993 8.490 -0.497 17518
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 95 3.043 0.151 3.055 17518
2 1 1 "Average Difference" HA 114 0.420 -0.017 0.421 17518
3 1 1 "Average Difference" C 100 1.300 -0.177 1.294 17518
4 1 1 "Average Difference" CA 102 1.281 -0.116 1.282 17518
5 1 1 "Average Difference" CB 88 1.253 -0.142 1.252 17518
6 1 1 "Average Difference" HN 95 0.561 -0.098 0.556 17518
7 1 2 "Average Difference" N 95 2.981 0.135 2.994 17518
8 1 2 "Average Difference" HA 114 0.416 0.002 0.418 17518
9 1 2 "Average Difference" C 100 1.270 -0.182 1.264 17518
10 1 2 "Average Difference" CA 102 1.270 -0.071 1.274 17518
11 1 2 "Average Difference" CB 88 1.269 -0.135 1.269 17518
12 1 2 "Average Difference" HN 95 0.542 -0.117 0.532 17518
13 1 3 "Average Difference" N 95 2.989 0.122 3.003 17518
14 1 3 "Average Difference" HA 114 0.422 -0.018 0.424 17518
15 1 3 "Average Difference" C 100 1.274 -0.085 1.277 17518
16 1 3 "Average Difference" CA 102 1.281 -0.083 1.284 17518
17 1 3 "Average Difference" CB 88 1.217 -0.185 1.210 17518
18 1 3 "Average Difference" HN 95 0.599 -0.108 0.592 17518
19 1 4 "Average Difference" N 95 3.006 0.198 3.015 17518
20 1 4 "Average Difference" HA 114 0.419 0.011 0.420 17518
21 1 4 "Average Difference" C 100 1.324 -0.206 1.314 17518
22 1 4 "Average Difference" CA 102 1.249 -0.171 1.243 17518
23 1 4 "Average Difference" CB 88 1.228 -0.103 1.231 17518
24 1 4 "Average Difference" HN 95 0.558 -0.126 0.546 17518
25 1 5 "Average Difference" N 95 2.901 0.042 2.916 17518
26 1 5 "Average Difference" HA 114 0.414 -0.001 0.416 17518
27 1 5 "Average Difference" C 100 1.297 -0.188 1.290 17518
28 1 5 "Average Difference" CA 102 1.228 -0.062 1.233 17518
29 1 5 "Average Difference" CB 88 1.248 -0.117 1.250 17518
30 1 5 "Average Difference" HN 95 0.544 -0.096 0.538 17518
31 1 6 "Average Difference" N 95 2.837 0.143 2.849 17518
32 1 6 "Average Difference" HA 114 0.441 0.004 0.443 17518
33 1 6 "Average Difference" C 100 1.295 -0.139 1.294 17518
34 1 6 "Average Difference" CA 102 1.344 -0.031 1.350 17518
35 1 6 "Average Difference" CB 88 1.287 -0.047 1.294 17518
36 1 6 "Average Difference" HN 95 0.573 -0.147 0.557 17518
37 1 7 "Average Difference" N 95 2.968 0.107 2.982 17518
38 1 7 "Average Difference" HA 114 0.422 -0.009 0.424 17518
39 1 7 "Average Difference" C 100 1.284 -0.143 1.282 17518
40 1 7 "Average Difference" CA 102 1.271 -0.097 1.274 17518
41 1 7 "Average Difference" CB 88 1.312 -0.064 1.318 17518
42 1 7 "Average Difference" HN 95 0.578 -0.098 0.573 17518
43 1 8 "Average Difference" N 95 2.772 -0.097 2.785 17518
44 1 8 "Average Difference" HA 114 0.430 -0.018 0.431 17518
45 1 8 "Average Difference" C 100 1.280 -0.139 1.279 17518
46 1 8 "Average Difference" CA 102 1.248 -0.109 1.250 17518
47 1 8 "Average Difference" CB 88 1.243 -0.104 1.245 17518
48 1 8 "Average Difference" HN 95 0.541 -0.150 0.523 17518
49 1 9 "Average Difference" N 95 2.952 -0.002 2.968 17518
50 1 9 "Average Difference" HA 114 0.433 0.026 0.434 17518
51 1 9 "Average Difference" C 100 1.327 -0.187 1.320 17518
52 1 9 "Average Difference" CA 102 1.253 -0.114 1.254 17518
53 1 9 "Average Difference" CB 88 1.214 -0.172 1.209 17518
54 1 9 "Average Difference" HN 95 0.516 -0.096 0.510 17518
55 1 10 "Average Difference" N 95 3.033 0.018 3.049 17518
56 1 10 "Average Difference" HA 114 0.414 -0.010 0.416 17518
57 1 10 "Average Difference" C 100 1.266 -0.106 1.268 17518
58 1 10 "Average Difference" CA 102 1.300 -0.110 1.302 17518
59 1 10 "Average Difference" CB 88 1.268 -0.093 1.271 17518
60 1 10 "Average Difference" HN 95 0.538 -0.118 0.527 17518
61 1 11 "Average Difference" N 95 2.930 0.092 2.945 17518
62 1 11 "Average Difference" HA 114 0.418 0.004 0.419 17518
63 1 11 "Average Difference" C 100 1.294 -0.163 1.290 17518
64 1 11 "Average Difference" CA 102 1.284 -0.045 1.290 17518
65 1 11 "Average Difference" CB 88 1.171 -0.103 1.173 17518
66 1 11 "Average Difference" HN 95 0.525 -0.100 0.518 17518
67 1 12 "Average Difference" N 95 2.930 0.272 2.933 17518
68 1 12 "Average Difference" HA 114 0.425 -0.005 0.427 17518
69 1 12 "Average Difference" C 100 1.282 -0.093 1.285 17518
70 1 12 "Average Difference" CA 102 1.293 -0.069 1.298 17518
71 1 12 "Average Difference" CB 88 1.188 -0.146 1.186 17518
72 1 12 "Average Difference" HN 95 0.592 -0.117 0.584 17518
73 1 13 "Average Difference" N 95 3.036 0.218 3.044 17518
74 1 13 "Average Difference" HA 114 0.421 -0.015 0.422 17518
75 1 13 "Average Difference" C 100 1.297 -0.188 1.290 17518
76 1 13 "Average Difference" CA 102 1.245 -0.125 1.244 17518
77 1 13 "Average Difference" CB 88 1.274 -0.212 1.264 17518
78 1 13 "Average Difference" HN 95 0.535 -0.125 0.523 17518
79 1 14 "Average Difference" N 95 2.894 -0.022 2.910 17518
80 1 14 "Average Difference" HA 114 0.428 0.021 0.429 17518
81 1 14 "Average Difference" C 100 1.277 -0.190 1.269 17518
82 1 14 "Average Difference" CA 102 1.239 -0.109 1.241 17518
83 1 14 "Average Difference" CB 88 1.260 -0.032 1.267 17518
84 1 14 "Average Difference" HN 95 0.571 -0.104 0.564 17518
85 1 15 "Average Difference" N 95 3.044 -0.158 3.056 17518
86 1 15 "Average Difference" HA 114 0.442 0.018 0.443 17518
87 1 15 "Average Difference" C 100 1.290 -0.145 1.288 17518
88 1 15 "Average Difference" CA 102 1.323 -0.099 1.326 17518
89 1 15 "Average Difference" CB 88 1.226 -0.020 1.233 17518
90 1 15 "Average Difference" HN 95 0.546 -0.097 0.540 17518
91 1 16 "Average Difference" N 95 2.817 0.050 2.831 17518
92 1 16 "Average Difference" HA 114 0.437 -0.002 0.439 17518
93 1 16 "Average Difference" C 100 1.279 -0.116 1.280 17518
94 1 16 "Average Difference" CA 102 1.389 -0.079 1.394 17518
95 1 16 "Average Difference" CB 88 1.295 -0.119 1.297 17518
96 1 16 "Average Difference" HN 95 0.536 -0.120 0.526 17518
97 1 17 "Average Difference" N 95 2.852 0.026 2.867 17518
98 1 17 "Average Difference" HA 114 0.417 0.019 0.418 17518
99 1 17 "Average Difference" C 100 1.249 -0.107 1.251 17518
100 1 17 "Average Difference" CA 102 1.329 -0.016 1.336 17518
101 1 17 "Average Difference" CB 88 1.254 -0.043 1.261 17518
102 1 17 "Average Difference" HN 95 0.566 -0.127 0.554 17518
103 1 18 "Average Difference" N 95 2.974 0.055 2.990 17518
104 1 18 "Average Difference" HA 114 0.411 0.014 0.412 17518
105 1 18 "Average Difference" C 100 1.330 -0.163 1.327 17518
106 1 18 "Average Difference" CA 102 1.209 -0.051 1.214 17518
107 1 18 "Average Difference" CB 88 1.218 -0.081 1.222 17518
108 1 18 "Average Difference" HN 95 0.547 -0.121 0.537 17518
109 1 19 "Average Difference" N 95 2.890 0.267 2.893 17518
110 1 19 "Average Difference" HA 114 0.401 0.006 0.403 17518
111 1 19 "Average Difference" C 100 1.290 -0.224 1.277 17518
112 1 19 "Average Difference" CA 102 1.262 -0.119 1.263 17518
113 1 19 "Average Difference" CB 88 1.228 -0.107 1.230 17518
114 1 19 "Average Difference" HN 95 0.534 -0.083 0.531 17518
115 1 20 "Average Difference" N 95 2.964 -0.081 2.979 17518
116 1 20 "Average Difference" HA 114 0.428 0.006 0.430 17518
117 1 20 "Average Difference" C 100 1.243 -0.117 1.243 17518
118 1 20 "Average Difference" CA 102 1.271 -0.089 1.274 17518
119 1 20 "Average Difference" CB 88 1.152 -0.146 1.149 17518
120 1 20 "Average Difference" HN 95 0.592 -0.154 0.575 17518
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 17518
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 GLY C C 421 174.167 174.167 173.925 0.242 17518
2 1 . 1 1 2 2 GLY CA C 421 45.259 45.259 45.129 0.130 17518
3 1 . 1 1 3 3 THR N N 422 113.380 113.380 115.382 -2.002 17518
4 1 . 1 1 3 3 THR HA H 422 4.348 4.348 4.405 -0.057 17518
5 1 . 1 1 3 3 THR C C 422 174.773 174.773 174.271 0.502 17518
6 1 . 1 1 3 3 THR CA C 422 61.357 61.357 62.141 -0.784 17518
7 1 . 1 1 3 3 THR CB C 422 69.791 69.791 69.560 0.231 17518
8 1 . 1 1 3 3 THR H H 422 8.099 8.099 8.149 -0.050 17518
9 1 . 1 1 4 4 GLY N N 423 113.124 113.124 112.279 0.845 17518
10 1 . 1 1 4 4 GLY C C 423 173.909 173.909 172.998 0.911 17518
11 1 . 1 1 4 4 GLY CA C 423 45.058 45.058 45.209 -0.151 17518
12 1 . 1 1 4 4 GLY H H 423 8.770 8.770 8.336 0.434 17518
13 1 . 1 1 5 5 ASN N N 424 121.226 121.226 119.351 1.875 17518
14 1 . 1 1 5 5 ASN HA H 424 4.574 4.574 4.873 -0.299 17518
15 1 . 1 1 5 5 ASN C C 424 174.450 174.450 173.768 0.682 17518
16 1 . 1 1 5 5 ASN CA C 424 53.237 53.237 52.728 0.509 17518
17 1 . 1 1 5 5 ASN CB C 424 38.520 38.520 41.295 -2.775 17518
18 1 . 1 1 5 5 ASN H H 424 8.988 8.988 8.397 0.591 17518
19 1 . 1 1 6 6 LYS N N 425 119.587 119.587 120.774 -1.187 17518
20 1 . 1 1 6 6 LYS HA H 425 5.129 5.129 4.584 0.545 17518
21 1 . 1 1 6 6 LYS C C 425 176.281 176.281 174.660 1.621 17518
22 1 . 1 1 6 6 LYS CA C 425 54.394 54.394 55.261 -0.867 17518
23 1 . 1 1 6 6 LYS CB C 425 35.448 35.448 35.727 -0.278 17518
24 1 . 1 1 6 6 LYS H H 425 8.354 8.354 8.390 -0.036 17518
25 1 . 1 1 7 7 VAL N N 426 124.203 124.203 125.084 -0.881 17518
26 1 . 1 1 7 7 VAL HA H 426 4.462 4.462 4.939 -0.477 17518
27 1 . 1 1 7 7 VAL C C 426 174.564 174.564 174.866 -0.302 17518
28 1 . 1 1 7 7 VAL CA C 426 61.369 61.369 60.774 0.595 17518
29 1 . 1 1 7 7 VAL CB C 426 34.432 34.432 34.353 0.079 17518
30 1 . 1 1 7 7 VAL H H 426 8.774 8.774 8.925 -0.151 17518
31 1 . 1 1 8 8 THR N N 427 125.363 125.363 124.112 1.251 17518
32 1 . 1 1 8 8 THR HA H 427 5.326 5.326 5.246 0.080 17518
33 1 . 1 1 8 8 THR C C 427 173.108 173.108 173.241 -0.133 17518
34 1 . 1 1 8 8 THR CA C 427 61.752 61.752 61.794 -0.042 17518
35 1 . 1 1 8 8 THR CB C 427 69.860 69.860 70.473 -0.613 17518
36 1 . 1 1 8 8 THR H H 427 8.851 8.851 9.133 -0.282 17518
37 1 . 1 1 9 9 ILE N N 428 127.015 127.015 126.474 0.541 17518
38 1 . 1 1 9 9 ILE HA H 428 4.656 4.656 4.841 -0.185 17518
39 1 . 1 1 9 9 ILE C C 428 175.404 175.404 174.271 1.133 17518
40 1 . 1 1 9 9 ILE CA C 428 59.880 59.880 60.342 -0.462 17518
41 1 . 1 1 9 9 ILE CB C 428 43.191 43.191 41.715 1.476 17518
42 1 . 1 1 9 9 ILE H H 428 8.628 8.628 9.203 -0.575 17518
43 1 . 1 1 10 10 TYR HA H 429 5.169 5.169 5.427 -0.258 17518
44 1 . 1 1 10 10 TYR C C 429 174.161 174.161 174.915 -0.754 17518
45 1 . 1 1 10 10 TYR CA C 429 57.251 57.251 54.363 2.888 17518
46 1 . 1 1 10 10 TYR CB C 429 40.383 40.383 39.252 1.131 17518
47 1 . 1 1 10 10 TYR H H 429 9.069 9.069 9.222 -0.153 17518
48 1 . 1 1 11 11 TYR N N 430 125.905 125.905 125.918 -0.013 17518
49 1 . 1 1 11 11 TYR HA H 430 4.990 4.990 5.655 -0.665 17518
50 1 . 1 1 11 11 TYR C C 430 173.359 173.359 174.254 -0.895 17518
51 1 . 1 1 11 11 TYR CA C 430 56.630 56.630 54.803 1.828 17518
52 1 . 1 1 11 11 TYR CB C 430 42.942 42.942 41.987 0.955 17518
53 1 . 1 1 11 11 TYR H H 430 9.500 9.500 8.956 0.544 17518
54 1 . 1 1 12 12 LYS N N 431 131.688 131.688 125.760 5.928 17518
55 1 . 1 1 12 12 LYS HA H 431 3.362 3.362 2.334 1.028 17518
56 1 . 1 1 12 12 LYS C C 431 172.929 172.929 174.585 -1.656 17518
57 1 . 1 1 12 12 LYS CA C 431 55.867 55.867 55.214 0.653 17518
58 1 . 1 1 12 12 LYS CB C 431 33.171 33.171 32.357 0.814 17518
59 1 . 1 1 12 12 LYS H H 431 8.410 8.410 7.878 0.532 17518
60 1 . 1 1 13 13 LYS N N 432 125.124 125.124 125.818 -0.694 17518
61 1 . 1 1 13 13 LYS HA H 432 3.872 3.872 3.907 -0.035 17518
62 1 . 1 1 13 13 LYS C C 432 180.107 180.107 176.175 3.932 17518
63 1 . 1 1 13 13 LYS CA C 432 52.508 52.508 56.467 -3.959 17518
64 1 . 1 1 13 13 LYS CB C 432 31.654 31.654 32.302 -0.648 17518
65 1 . 1 1 14 14 GLY N N 433 112.761 112.761 112.467 0.294 17518
66 1 . 1 1 14 14 GLY C C 433 174.180 174.180 174.305 -0.125 17518
67 1 . 1 1 14 14 GLY CA C 433 46.342 46.342 45.267 1.075 17518
68 1 . 1 1 14 14 GLY H H 433 7.585 7.585 8.549 -0.964 17518
69 1 . 1 1 15 15 PHE N N 434 121.529 121.529 119.047 2.482 17518
70 1 . 1 1 15 15 PHE HA H 434 4.691 4.691 4.675 0.016 17518
71 1 . 1 1 15 15 PHE C C 434 175.899 175.899 175.277 0.622 17518
72 1 . 1 1 15 15 PHE CA C 434 57.157 57.157 59.221 -2.064 17518
73 1 . 1 1 15 15 PHE CB C 434 38.472 38.472 40.547 -2.075 17518
74 1 . 1 1 15 15 PHE H H 434 8.454 8.454 8.088 0.366 17518
75 1 . 1 1 16 16 ASN N N 435 117.583 117.583 114.646 2.937 17518
76 1 . 1 1 16 16 ASN HA H 435 4.399 4.399 4.640 -0.241 17518
77 1 . 1 1 16 16 ASN C C 435 176.259 176.259 174.055 2.204 17518
78 1 . 1 1 16 16 ASN CA C 435 56.521 56.521 53.936 2.585 17518
79 1 . 1 1 16 16 ASN CB C 435 39.366 39.366 38.261 1.105 17518
80 1 . 1 1 16 16 ASN H H 435 8.513 8.513 8.525 -0.012 17518
81 1 . 1 1 17 17 SER N N 436 112.889 112.889 116.269 -3.380 17518
82 1 . 1 1 17 17 SER HA H 436 4.798 4.798 4.899 -0.101 17518
83 1 . 1 1 17 17 SER C C 436 171.151 171.151 171.821 -0.670 17518
84 1 . 1 1 17 17 SER CA C 436 53.721 53.721 55.916 -2.195 17518
85 1 . 1 1 17 17 SER CB C 436 63.834 63.834 63.947 -0.113 17518
86 1 . 1 1 17 17 SER H H 436 8.315 8.315 8.305 0.011 17518
87 1 . 1 1 18 18 PRO HA H 437 4.562 4.562 4.476 0.086 17518
88 1 . 1 1 18 18 PRO C C 437 175.812 175.812 175.581 0.231 17518
89 1 . 1 1 18 18 PRO CA C 437 62.617 62.617 62.308 0.309 17518
90 1 . 1 1 18 18 PRO CB C 437 32.774 32.774 32.589 0.185 17518
91 1 . 1 1 19 19 TYR N N 438 122.060 122.060 118.786 3.274 17518
92 1 . 1 1 19 19 TYR HA H 438 4.830 4.830 4.800 0.030 17518
93 1 . 1 1 19 19 TYR C C 438 174.732 174.732 174.891 -0.159 17518
94 1 . 1 1 19 19 TYR CA C 438 56.729 56.729 56.972 -0.243 17518
95 1 . 1 1 19 19 TYR CB C 438 40.758 40.758 41.166 -0.408 17518
96 1 . 1 1 19 19 TYR H H 438 9.072 9.072 8.676 0.396 17518
97 1 . 1 1 20 20 ILE N N 439 118.018 118.018 120.416 -2.398 17518
98 1 . 1 1 20 20 ILE HA H 439 4.988 4.988 4.903 0.085 17518
99 1 . 1 1 20 20 ILE C C 439 171.341 171.341 174.404 -3.063 17518
100 1 . 1 1 20 20 ILE CA C 439 58.573 58.573 59.413 -0.840 17518
101 1 . 1 1 20 20 ILE CB C 439 41.658 41.658 41.319 0.339 17518
102 1 . 1 1 20 20 ILE H H 439 9.164 9.164 8.956 0.208 17518
103 1 . 1 1 21 21 HIS N N 440 133.346 133.346 130.295 3.051 17518
104 1 . 1 1 21 21 HIS HA H 440 5.375 5.375 4.902 0.473 17518
105 1 . 1 1 21 21 HIS C C 440 174.947 174.947 173.755 1.192 17518
106 1 . 1 1 21 21 HIS CA C 440 53.801 53.801 54.396 -0.595 17518
107 1 . 1 1 21 21 HIS CB C 440 35.001 35.001 31.207 3.794 17518
108 1 . 1 1 21 21 HIS H H 440 8.843 8.843 8.593 0.250 17518
109 1 . 1 1 22 22 TYR N N 441 121.863 121.863 123.059 -1.196 17518
110 1 . 1 1 22 22 TYR HA H 441 6.057 6.057 5.738 0.319 17518
111 1 . 1 1 22 22 TYR C C 441 173.567 173.567 173.364 0.203 17518
112 1 . 1 1 22 22 TYR CA C 441 56.693 56.693 55.087 1.606 17518
113 1 . 1 1 22 22 TYR CB C 441 42.796 42.796 41.879 0.917 17518
114 1 . 1 1 22 22 TYR H H 441 8.231 8.231 7.854 0.377 17518
115 1 . 1 1 23 23 ARG N N 442 116.788 116.788 120.797 -4.009 17518
116 1 . 1 1 23 23 ARG HA H 442 4.631 4.631 4.782 -0.151 17518
117 1 . 1 1 23 23 ARG CA C 442 52.360 52.360 52.769 -0.409 17518
118 1 . 1 1 23 23 ARG CB C 442 32.314 32.314 33.370 -1.056 17518
119 1 . 1 1 23 23 ARG H H 442 8.456 8.456 9.050 -0.594 17518
120 1 . 1 1 24 24 PRO HA H 443 4.507 4.507 4.509 -0.002 17518
121 1 . 1 1 24 24 PRO C C 443 176.258 176.258 175.985 0.273 17518
122 1 . 1 1 24 24 PRO CA C 443 62.244 62.244 61.938 0.306 17518
123 1 . 1 1 24 24 PRO CB C 443 32.197 32.197 32.299 -0.103 17518
124 1 . 1 1 25 25 ALA N N 444 125.666 125.666 126.144 -0.478 17518
125 1 . 1 1 25 25 ALA HA H 444 3.958 3.958 3.958 0.000 17518
126 1 . 1 1 25 25 ALA C C 444 179.221 179.221 177.648 1.573 17518
127 1 . 1 1 25 25 ALA CA C 444 54.180 54.180 53.376 0.804 17518
128 1 . 1 1 25 25 ALA CB C 444 18.420 18.420 18.117 0.303 17518
129 1 . 1 1 25 25 ALA H H 444 8.230 8.230 8.215 0.015 17518
130 1 . 1 1 26 26 GLY N N 445 112.217 112.217 110.080 2.137 17518
131 1 . 1 1 26 26 GLY C C 445 174.734 174.734 174.390 0.344 17518
132 1 . 1 1 26 26 GLY CA C 445 45.662 45.662 44.729 0.933 17518
133 1 . 1 1 26 26 GLY H H 445 8.591 8.591 8.003 0.588 17518
134 1 . 1 1 27 27 GLY N N 446 109.489 109.489 109.054 0.435 17518
135 1 . 1 1 27 27 GLY C C 446 173.379 173.379 172.905 0.474 17518
136 1 . 1 1 27 27 GLY CA C 446 44.117 44.117 44.239 -0.122 17518
137 1 . 1 1 27 27 GLY H H 446 8.380 8.380 8.421 -0.041 17518
138 1 . 1 1 28 28 SER N N 447 117.275 117.275 114.448 2.827 17518
139 1 . 1 1 28 28 SER HA H 447 4.637 4.637 4.593 0.044 17518
140 1 . 1 1 28 28 SER C C 447 173.759 173.759 173.309 0.450 17518
141 1 . 1 1 28 28 SER CA C 447 57.410 57.410 57.359 0.051 17518
142 1 . 1 1 28 28 SER CB C 447 65.022 65.022 65.356 -0.334 17518
143 1 . 1 1 28 28 SER H H 447 8.585 8.585 8.219 0.366 17518
144 1 . 1 1 29 29 TRP N N 448 123.426 123.426 122.081 1.345 17518
145 1 . 1 1 29 29 TRP HA H 448 4.393 4.393 4.517 -0.124 17518
146 1 . 1 1 29 29 TRP C C 448 178.997 178.997 177.314 1.683 17518
147 1 . 1 1 29 29 TRP CA C 448 58.166 58.166 57.695 0.471 17518
148 1 . 1 1 29 29 TRP CB C 448 30.606 30.606 30.328 0.278 17518
149 1 . 1 1 29 29 TRP H H 448 8.346 8.346 8.491 -0.145 17518
150 1 . 1 1 30 30 THR N N 449 111.168 111.168 114.315 -3.147 17518
151 1 . 1 1 30 30 THR HA H 449 3.978 3.978 4.376 -0.398 17518
152 1 . 1 1 30 30 THR C C 449 174.707 174.707 174.058 0.649 17518
153 1 . 1 1 30 30 THR CA C 449 61.317 61.317 61.259 0.058 17518
154 1 . 1 1 30 30 THR CB C 449 70.526 70.526 69.621 0.905 17518
155 1 . 1 1 30 30 THR H H 449 7.888 7.888 8.385 -0.497 17518
156 1 . 1 1 31 31 ALA N N 450 122.982 122.982 123.997 -1.015 17518
157 1 . 1 1 31 31 ALA HA H 450 4.399 4.399 4.276 0.123 17518
158 1 . 1 1 31 31 ALA C C 450 178.443 178.443 176.688 1.755 17518
159 1 . 1 1 31 31 ALA CA C 450 51.884 51.884 51.576 0.308 17518
160 1 . 1 1 31 31 ALA CB C 450 18.061 18.061 18.150 -0.089 17518
161 1 . 1 1 31 31 ALA H H 450 8.383 8.383 8.391 -0.008 17518
162 1 . 1 1 32 32 ALA N N 451 129.780 129.780 127.280 2.500 17518
163 1 . 1 1 32 32 ALA HA H 451 3.858 3.858 4.214 -0.356 17518
164 1 . 1 1 32 32 ALA C C 451 175.997 175.997 175.895 0.102 17518
165 1 . 1 1 32 32 ALA CA C 451 51.811 51.811 50.593 1.218 17518
166 1 . 1 1 32 32 ALA CB C 451 16.246 16.246 18.527 -2.281 17518
167 1 . 1 1 32 32 ALA H H 451 8.778 8.778 7.982 0.796 17518
168 1 . 1 1 33 33 PRO HA H 452 3.844 3.844 4.389 -0.545 17518
169 1 . 1 1 33 33 PRO C C 452 173.297 173.297 176.923 -3.626 17518
170 1 . 1 1 33 33 PRO CA C 452 63.732 63.732 62.335 1.397 17518
171 1 . 1 1 33 33 PRO CB C 452 33.646 33.646 32.542 1.104 17518
172 1 . 1 1 34 34 GLY N N 453 112.150 112.150 112.094 0.056 17518
173 1 . 1 1 34 34 GLY C C 453 174.011 174.011 173.860 0.151 17518
174 1 . 1 1 34 34 GLY CA C 453 43.995 43.995 45.885 -1.890 17518
175 1 . 1 1 34 34 GLY H H 453 8.685 8.685 7.865 0.820 17518
176 1 . 1 1 35 35 VAL N N 454 123.276 123.276 121.416 1.860 17518
177 1 . 1 1 35 35 VAL HA H 454 4.346 4.346 4.374 -0.028 17518
178 1 . 1 1 35 35 VAL C C 454 174.782 174.782 175.006 -0.224 17518
179 1 . 1 1 35 35 VAL CA C 454 60.959 60.959 60.086 0.873 17518
180 1 . 1 1 35 35 VAL CB C 454 34.857 34.857 35.416 -0.559 17518
181 1 . 1 1 35 35 VAL H H 454 9.287 9.287 8.374 0.913 17518
182 1 . 1 1 36 36 LYS N N 455 128.135 128.135 128.929 -0.794 17518
183 1 . 1 1 36 36 LYS HA H 455 3.061 3.061 4.120 -1.059 17518
184 1 . 1 1 36 36 LYS C C 455 176.438 176.438 176.214 0.224 17518
185 1 . 1 1 36 36 LYS CA C 455 57.223 57.223 56.650 0.573 17518
186 1 . 1 1 36 36 LYS CB C 455 32.619 32.619 31.867 0.752 17518
187 1 . 1 1 36 36 LYS H H 455 8.443 8.443 8.539 -0.096 17518
188 1 . 1 1 37 37 MET N N 456 124.850 124.850 127.097 -2.247 17518
189 1 . 1 1 37 37 MET HA H 456 4.207 4.207 4.187 0.020 17518
190 1 . 1 1 37 37 MET C C 456 175.590 175.590 176.420 -0.830 17518
191 1 . 1 1 37 37 MET CA C 456 56.409 56.409 57.432 -1.023 17518
192 1 . 1 1 37 37 MET CB C 456 34.978 34.978 32.244 2.734 17518
193 1 . 1 1 37 37 MET H H 456 8.121 8.121 8.311 -0.190 17518
194 1 . 1 1 38 38 GLN N N 457 121.555 121.555 122.256 -0.701 17518
195 1 . 1 1 38 38 GLN HA H 457 4.393 4.393 4.119 0.274 17518
196 1 . 1 1 38 38 GLN C C 457 175.737 175.737 175.703 0.034 17518
197 1 . 1 1 38 38 GLN CA C 457 54.783 54.783 56.475 -1.692 17518
198 1 . 1 1 38 38 GLN CB C 457 30.307 30.307 29.013 1.294 17518
199 1 . 1 1 38 38 GLN H H 457 8.441 8.441 8.726 -0.285 17518
200 1 . 1 1 39 39 ASP N N 458 121.629 121.629 118.694 2.935 17518
201 1 . 1 1 39 39 ASP HA H 458 4.731 4.731 4.683 0.048 17518
202 1 . 1 1 39 39 ASP C C 458 176.733 176.733 175.191 1.542 17518
203 1 . 1 1 39 39 ASP CA C 458 56.257 56.257 54.199 2.058 17518
204 1 . 1 1 39 39 ASP CB C 458 40.358 40.358 40.969 -0.611 17518
205 1 . 1 1 39 39 ASP H H 458 8.720 8.720 8.440 0.280 17518
206 1 . 1 1 40 40 ALA N N 459 122.646 122.646 125.375 -2.729 17518
207 1 . 1 1 40 40 ALA HA H 459 4.292 4.292 4.644 -0.352 17518
208 1 . 1 1 40 40 ALA C C 459 175.201 175.201 177.774 -2.573 17518
209 1 . 1 1 40 40 ALA CA C 459 50.556 50.556 50.237 0.319 17518
210 1 . 1 1 40 40 ALA CB C 459 21.948 21.948 19.921 2.027 17518
211 1 . 1 1 40 40 ALA H H 459 8.423 8.423 8.819 -0.396 17518
212 1 . 1 1 41 41 GLU N N 460 120.190 120.190 126.545 -6.355 17518
213 1 . 1 1 41 41 GLU HA H 460 4.307 4.307 3.939 0.368 17518
214 1 . 1 1 41 41 GLU C C 460 174.722 174.722 177.872 -3.150 17518
215 1 . 1 1 41 41 GLU CA C 460 57.519 57.519 58.290 -0.771 17518
216 1 . 1 1 41 41 GLU CB C 460 27.336 27.336 29.186 -1.850 17518
217 1 . 1 1 41 41 GLU H H 460 10.341 10.341 8.885 1.456 17518
218 1 . 1 1 42 42 ILE N N 461 119.473 119.473 118.721 0.752 17518
219 1 . 1 1 42 42 ILE HA H 461 4.311 4.311 3.629 0.682 17518
220 1 . 1 1 42 42 ILE C C 461 174.959 174.959 176.261 -1.302 17518
221 1 . 1 1 42 42 ILE CA C 461 58.966 58.966 63.537 -4.571 17518
222 1 . 1 1 42 42 ILE CB C 461 39.745 39.745 37.375 2.370 17518
223 1 . 1 1 42 42 ILE H H 461 6.466 6.466 7.795 -1.329 17518
224 1 . 1 1 43 43 SER N N 462 121.292 121.292 111.279 10.013 17518
225 1 . 1 1 43 43 SER HA H 462 4.297 4.297 4.474 -0.177 17518
226 1 . 1 1 43 43 SER C C 462 175.624 175.624 173.636 1.988 17518
227 1 . 1 1 43 43 SER CA C 462 60.112 60.112 58.367 1.745 17518
228 1 . 1 1 43 43 SER CB C 462 63.116 63.116 63.072 0.044 17518
229 1 . 1 1 43 43 SER H H 462 8.584 8.584 7.613 0.971 17518
230 1 . 1 1 44 44 GLY N N 463 111.896 111.896 107.564 4.332 17518
231 1 . 1 1 44 44 GLY C C 463 173.823 173.823 173.171 0.652 17518
232 1 . 1 1 44 44 GLY CA C 463 44.879 44.879 45.469 -0.590 17518
233 1 . 1 1 44 44 GLY H H 463 8.623 8.623 7.985 0.638 17518
234 1 . 1 1 45 45 TYR N N 464 116.379 116.379 119.862 -3.483 17518
235 1 . 1 1 45 45 TYR HA H 464 5.698 5.698 4.718 0.980 17518
236 1 . 1 1 45 45 TYR C C 464 175.693 175.693 173.330 2.363 17518
237 1 . 1 1 45 45 TYR CA C 464 56.612 56.612 56.659 -0.047 17518
238 1 . 1 1 45 45 TYR CB C 464 41.924 41.924 42.530 -0.606 17518
239 1 . 1 1 45 45 TYR H H 464 7.803 7.803 8.101 -0.298 17518
240 1 . 1 1 46 46 ALA N N 465 126.206 126.206 120.182 6.024 17518
241 1 . 1 1 46 46 ALA HA H 465 5.337 5.337 5.416 -0.079 17518
242 1 . 1 1 46 46 ALA C C 465 176.129 176.129 175.802 0.327 17518
243 1 . 1 1 46 46 ALA CA C 465 50.456 50.456 49.797 0.659 17518
244 1 . 1 1 46 46 ALA CB C 465 24.346 24.346 22.127 2.219 17518
245 1 . 1 1 46 46 ALA H H 465 9.910 9.910 9.184 0.725 17518
246 1 . 1 1 47 47 LYS N N 466 120.226 120.226 120.702 -0.476 17518
247 1 . 1 1 47 47 LYS HA H 466 5.672 5.672 5.239 0.433 17518
248 1 . 1 1 47 47 LYS C C 466 173.880 173.880 174.727 -0.847 17518
249 1 . 1 1 47 47 LYS CA C 466 55.406 55.406 55.265 0.140 17518
250 1 . 1 1 47 47 LYS CB C 466 37.160 37.160 36.639 0.521 17518
251 1 . 1 1 47 47 LYS H H 466 9.373 9.373 8.362 1.011 17518
252 1 . 1 1 48 48 ILE N N 467 120.505 120.505 121.351 -0.847 17518
253 1 . 1 1 48 48 ILE HA H 467 4.403 4.403 4.546 -0.143 17518
254 1 . 1 1 48 48 ILE C C 467 171.247 171.247 173.218 -1.971 17518
255 1 . 1 1 48 48 ILE CA C 467 60.382 60.382 60.496 -0.114 17518
256 1 . 1 1 48 48 ILE CB C 467 42.534 42.534 42.729 -0.195 17518
257 1 . 1 1 48 48 ILE H H 467 8.085 8.085 8.803 -0.718 17518
258 1 . 1 1 49 49 THR N N 468 122.247 122.247 124.715 -2.468 17518
259 1 . 1 1 49 49 THR HA H 468 5.301 5.301 5.336 -0.035 17518
260 1 . 1 1 49 49 THR C C 468 173.694 173.694 173.683 0.011 17518
261 1 . 1 1 49 49 THR CA C 468 61.871 61.871 60.837 1.034 17518
262 1 . 1 1 49 49 THR CB C 468 70.649 70.649 70.118 0.531 17518
263 1 . 1 1 49 49 THR H H 468 7.954 7.954 8.249 -0.295 17518
264 1 . 1 1 50 50 VAL N N 469 126.076 126.076 124.913 1.163 17518
265 1 . 1 1 50 50 VAL HA H 469 4.111 4.111 4.074 0.036 17518
266 1 . 1 1 50 50 VAL C C 469 173.826 173.826 174.035 -0.209 17518
267 1 . 1 1 50 50 VAL CA C 469 60.199 60.199 60.523 -0.324 17518
268 1 . 1 1 50 50 VAL CB C 469 35.049 35.049 35.282 -0.233 17518
269 1 . 1 1 50 50 VAL H H 469 9.242 9.242 9.004 0.238 17518
270 1 . 1 1 51 51 ASP N N 470 126.346 126.346 125.276 1.070 17518
271 1 . 1 1 51 51 ASP HA H 470 4.913 4.913 4.771 0.142 17518
272 1 . 1 1 51 51 ASP C C 470 177.013 177.013 176.292 0.721 17518
273 1 . 1 1 51 51 ASP CA C 470 53.014 53.014 54.035 -1.021 17518
274 1 . 1 1 51 51 ASP CB C 470 41.919 41.919 42.085 -0.166 17518
275 1 . 1 1 51 51 ASP H H 470 8.476 8.476 8.527 -0.052 17518
276 1 . 1 1 52 52 ILE N N 471 118.935 118.935 117.118 1.817 17518
277 1 . 1 1 52 52 ILE HA H 471 4.538 4.538 4.564 -0.026 17518
278 1 . 1 1 52 52 ILE C C 471 176.991 176.991 176.543 0.448 17518
279 1 . 1 1 52 52 ILE CA C 471 59.992 59.992 60.157 -0.165 17518
280 1 . 1 1 52 52 ILE CB C 471 38.002 38.002 39.492 -1.490 17518
281 1 . 1 1 52 52 ILE H H 471 8.728 8.728 8.302 0.426 17518
282 1 . 1 1 53 53 GLY N N 472 114.498 114.498 110.835 3.663 17518
283 1 . 1 1 53 53 GLY C C 472 174.971 174.971 174.776 0.195 17518
284 1 . 1 1 53 53 GLY CA C 472 47.668 47.668 47.049 0.618 17518
285 1 . 1 1 53 53 GLY H H 472 9.078 9.078 8.511 0.567 17518
286 1 . 1 1 54 54 SER N N 473 120.546 120.546 117.537 3.009 17518
287 1 . 1 1 54 54 SER HA H 473 4.426 4.426 4.275 0.151 17518
288 1 . 1 1 54 54 SER C C 473 174.975 174.975 173.265 1.710 17518
289 1 . 1 1 54 54 SER CA C 473 58.417 58.417 58.724 -0.307 17518
290 1 . 1 1 54 54 SER CB C 473 63.632 63.632 63.645 -0.013 17518
291 1 . 1 1 54 54 SER H H 473 8.808 8.808 8.452 0.356 17518
292 1 . 1 1 55 55 ALA N N 474 125.402 125.402 123.776 1.626 17518
293 1 . 1 1 55 55 ALA HA H 474 4.366 4.366 4.621 -0.255 17518
294 1 . 1 1 55 55 ALA C C 474 176.116 176.116 176.529 -0.413 17518
295 1 . 1 1 55 55 ALA CA C 474 52.372 52.372 51.447 0.925 17518
296 1 . 1 1 55 55 ALA CB C 474 20.315 20.315 20.518 -0.203 17518
297 1 . 1 1 55 55 ALA H H 474 7.738 7.738 7.886 -0.148 17518
298 1 . 1 1 56 56 SER N N 475 110.149 110.149 116.627 -6.478 17518
299 1 . 1 1 56 56 SER HA H 475 4.539 4.539 4.366 0.173 17518
300 1 . 1 1 56 56 SER C C 475 173.662 173.662 174.009 -0.347 17518
301 1 . 1 1 56 56 SER CA C 475 58.121 58.121 59.718 -1.597 17518
302 1 . 1 1 56 56 SER CB C 475 65.000 65.000 63.758 1.242 17518
303 1 . 1 1 56 56 SER H H 475 8.756 8.756 8.698 0.058 17518
304 1 . 1 1 57 57 GLN N N 476 117.023 117.023 116.838 0.185 17518
305 1 . 1 1 57 57 GLN HA H 476 5.058 5.058 4.814 0.244 17518
306 1 . 1 1 57 57 GLN C C 476 173.042 173.042 173.298 -0.256 17518
307 1 . 1 1 57 57 GLN CA C 476 54.224 54.224 55.124 -0.900 17518
308 1 . 1 1 57 57 GLN CB C 476 33.609 33.609 33.604 0.005 17518
309 1 . 1 1 57 57 GLN H H 476 7.139 7.139 7.419 -0.280 17518
310 1 . 1 1 58 58 LEU N N 477 121.156 121.156 121.442 -0.286 17518
311 1 . 1 1 58 58 LEU HA H 477 4.746 4.746 5.047 -0.301 17518
312 1 . 1 1 58 58 LEU C C 477 173.922 173.922 174.153 -0.231 17518
313 1 . 1 1 58 58 LEU CA C 477 53.508 53.508 54.144 -0.636 17518
314 1 . 1 1 58 58 LEU CB C 477 47.280 47.280 46.437 0.843 17518
315 1 . 1 1 58 58 LEU H H 477 9.149 9.149 9.254 -0.105 17518
316 1 . 1 1 59 59 GLU N N 478 126.375 126.375 125.133 1.242 17518
317 1 . 1 1 59 59 GLU HA H 478 5.356 5.356 5.315 0.041 17518
318 1 . 1 1 59 59 GLU C C 478 175.481 175.481 175.123 0.358 17518
319 1 . 1 1 59 59 GLU CA C 478 54.597 54.597 55.022 -0.425 17518
320 1 . 1 1 59 59 GLU CB C 478 32.759 32.759 32.900 -0.141 17518
321 1 . 1 1 59 59 GLU H H 478 8.558 8.558 9.007 -0.449 17518
322 1 . 1 1 60 60 ALA N N 479 124.321 124.321 126.810 -2.489 17518
323 1 . 1 1 60 60 ALA HA H 479 5.792 5.792 5.828 -0.036 17518
324 1 . 1 1 60 60 ALA C C 479 174.955 174.955 175.313 -0.358 17518
325 1 . 1 1 60 60 ALA CA C 479 51.141 51.141 50.856 0.285 17518
326 1 . 1 1 60 60 ALA CB C 479 25.094 25.094 23.843 1.251 17518
327 1 . 1 1 60 60 ALA H H 479 9.614 9.614 9.051 0.562 17518
328 1 . 1 1 61 61 ALA N N 480 120.954 120.954 121.396 -0.442 17518
329 1 . 1 1 61 61 ALA HA H 480 4.794 4.794 5.135 -0.341 17518
330 1 . 1 1 61 61 ALA C C 480 174.782 174.782 174.994 -0.212 17518
331 1 . 1 1 61 61 ALA CA C 480 51.257 51.257 50.864 0.393 17518
332 1 . 1 1 61 61 ALA CB C 480 23.214 23.214 22.708 0.506 17518
333 1 . 1 1 61 61 ALA H H 480 9.346 9.346 8.997 0.349 17518
334 1 . 1 1 62 62 PHE N N 481 117.021 117.021 120.857 -3.836 17518
335 1 . 1 1 62 62 PHE HA H 481 5.884 5.884 4.957 0.927 17518
336 1 . 1 1 62 62 PHE C C 481 175.044 175.044 173.235 1.809 17518
337 1 . 1 1 62 62 PHE CA C 481 56.588 56.588 55.090 1.498 17518
338 1 . 1 1 62 62 PHE CB C 481 43.263 43.263 42.630 0.633 17518
339 1 . 1 1 62 62 PHE H H 481 8.351 8.351 8.802 -0.451 17518
340 1 . 1 1 63 63 ASN N N 482 116.362 116.362 121.543 -5.181 17518
341 1 . 1 1 63 63 ASN HA H 482 5.108 5.108 4.464 0.644 17518
342 1 . 1 1 63 63 ASN C C 482 172.088 172.088 173.985 -1.897 17518
343 1 . 1 1 63 63 ASN CA C 482 53.710 53.710 51.963 1.747 17518
344 1 . 1 1 63 63 ASN CB C 482 41.348 41.348 41.251 0.097 17518
345 1 . 1 1 63 63 ASN H H 482 9.077 9.077 8.434 0.643 17518
346 1 . 1 1 64 64 ASP N N 483 118.002 118.002 120.204 -2.202 17518
347 1 . 1 1 64 64 ASP HA H 483 4.184 4.184 4.146 0.038 17518
348 1 . 1 1 64 64 ASP C C 483 177.271 177.271 176.903 0.368 17518
349 1 . 1 1 64 64 ASP CA C 483 52.301 52.301 53.549 -1.248 17518
350 1 . 1 1 64 64 ASP CB C 483 40.887 40.887 39.646 1.241 17518
351 1 . 1 1 64 64 ASP H H 483 7.482 7.482 8.029 -0.547 17518
352 1 . 1 1 65 65 GLY N N 484 110.602 110.602 108.357 2.245 17518
353 1 . 1 1 65 65 GLY C C 484 173.156 173.156 173.873 -0.717 17518
354 1 . 1 1 65 65 GLY CA C 484 45.615 45.615 45.611 0.004 17518
355 1 . 1 1 65 65 GLY H H 484 8.696 8.696 7.849 0.847 17518
356 1 . 1 1 66 66 ASN N N 485 120.867 120.867 118.525 2.342 17518
357 1 . 1 1 66 66 ASN HA H 485 4.704 4.704 4.562 0.142 17518
358 1 . 1 1 66 66 ASN C C 485 174.442 174.442 174.982 -0.540 17518
359 1 . 1 1 66 66 ASN CA C 485 52.311 52.311 54.412 -2.101 17518
360 1 . 1 1 66 66 ASN CB C 485 39.491 39.491 39.161 0.330 17518
361 1 . 1 1 66 66 ASN H H 485 8.371 8.371 8.287 0.084 17518
362 1 . 1 1 67 67 ASN N N 486 113.518 113.518 114.993 -1.475 17518
363 1 . 1 1 67 67 ASN HA H 486 4.178 4.178 4.822 -0.644 17518
364 1 . 1 1 67 67 ASN C C 486 173.845 173.845 173.774 0.071 17518
365 1 . 1 1 67 67 ASN CA C 486 54.486 54.486 53.485 1.001 17518
366 1 . 1 1 67 67 ASN CB C 486 38.267 38.267 40.202 -1.935 17518
367 1 . 1 1 67 67 ASN H H 486 8.700 8.700 8.343 0.357 17518
368 1 . 1 1 68 68 ASN N N 487 118.464 118.464 120.288 -1.824 17518
369 1 . 1 1 68 68 ASN HA H 487 5.058 5.058 4.967 0.091 17518
370 1 . 1 1 68 68 ASN C C 487 173.449 173.449 173.683 -0.234 17518
371 1 . 1 1 68 68 ASN CA C 487 53.268 53.268 53.064 0.204 17518
372 1 . 1 1 68 68 ASN CB C 487 38.813 38.813 39.383 -0.570 17518
373 1 . 1 1 68 68 ASN H H 487 7.975 7.975 8.489 -0.514 17518
374 1 . 1 1 69 69 TRP N N 488 120.817 120.817 122.847 -2.030 17518
375 1 . 1 1 69 69 TRP HA H 488 4.822 4.822 4.917 -0.095 17518
376 1 . 1 1 69 69 TRP C C 488 176.268 176.268 175.778 0.490 17518
377 1 . 1 1 69 69 TRP CA C 488 57.178 57.178 55.735 1.443 17518
378 1 . 1 1 69 69 TRP CB C 488 32.331 32.331 31.798 0.533 17518
379 1 . 1 1 69 69 TRP H H 488 8.771 8.771 8.451 0.320 17518
380 1 . 1 1 70 70 ASP N N 489 122.179 122.179 119.689 2.490 17518
381 1 . 1 1 70 70 ASP HA H 489 5.196 5.196 5.094 0.102 17518
382 1 . 1 1 70 70 ASP C C 489 175.441 175.441 174.533 0.908 17518
383 1 . 1 1 70 70 ASP CA C 489 53.345 53.345 54.385 -1.040 17518
384 1 . 1 1 70 70 ASP CB C 489 41.968 41.968 43.633 -1.665 17518
385 1 . 1 1 70 70 ASP H H 489 9.795 9.795 8.917 0.878 17518
386 1 . 1 1 71 71 SER N N 490 117.314 117.314 118.316 -1.002 17518
387 1 . 1 1 71 71 SER HA H 490 5.084 5.084 4.442 0.642 17518
388 1 . 1 1 71 71 SER C C 490 175.277 175.277 174.085 1.192 17518
389 1 . 1 1 71 71 SER CA C 490 56.099 56.099 56.526 -0.427 17518
390 1 . 1 1 71 71 SER CB C 490 66.550 66.550 65.867 0.683 17518
391 1 . 1 1 71 71 SER H H 490 9.238 9.238 8.166 1.072 17518
392 1 . 1 1 72 72 ASN N N 491 122.911 122.911 122.524 0.387 17518
393 1 . 1 1 72 72 ASN HA H 491 4.367 4.367 4.022 0.345 17518
394 1 . 1 1 72 72 ASN C C 491 176.857 176.857 175.237 1.620 17518
395 1 . 1 1 72 72 ASN CA C 491 53.192 53.192 54.601 -1.409 17518
396 1 . 1 1 72 72 ASN CB C 491 35.574 35.574 37.761 -2.187 17518
397 1 . 1 1 72 72 ASN H H 491 8.536 8.536 7.655 0.881 17518
398 1 . 1 1 73 73 ASN N N 492 116.146 116.146 114.085 2.061 17518
399 1 . 1 1 73 73 ASN HA H 492 4.385 4.385 4.514 -0.129 17518
400 1 . 1 1 73 73 ASN C C 492 176.335 176.335 174.283 2.052 17518
401 1 . 1 1 73 73 ASN CA C 492 54.488 54.488 55.124 -0.636 17518
402 1 . 1 1 73 73 ASN CB C 492 37.331 37.331 38.100 -0.769 17518
403 1 . 1 1 73 73 ASN H H 492 9.086 9.086 8.480 0.606 17518
404 1 . 1 1 74 74 THR N N 493 110.420 110.420 111.481 -1.061 17518
405 1 . 1 1 74 74 THR HA H 493 3.779 3.779 4.334 -0.555 17518
406 1 . 1 1 74 74 THR C C 493 173.194 173.194 172.956 0.238 17518
407 1 . 1 1 74 74 THR CA C 493 65.027 65.027 63.013 2.014 17518
408 1 . 1 1 74 74 THR CB C 493 69.730 69.730 68.473 1.257 17518
409 1 . 1 1 74 74 THR H H 493 7.782 7.782 8.019 -0.237 17518
410 1 . 1 1 75 75 LYS N N 494 121.968 121.968 120.092 1.876 17518
411 1 . 1 1 75 75 LYS HA H 494 4.067 4.067 4.425 -0.358 17518
412 1 . 1 1 75 75 LYS C C 494 177.470 177.470 174.758 2.712 17518
413 1 . 1 1 75 75 LYS CA C 494 58.009 58.009 56.340 1.669 17518
414 1 . 1 1 75 75 LYS CB C 494 32.586 32.586 35.239 -2.653 17518
415 1 . 1 1 75 75 LYS H H 494 7.652 7.652 8.343 -0.691 17518
416 1 . 1 1 76 76 ASN N N 495 108.525 108.525 114.875 -6.350 17518
417 1 . 1 1 76 76 ASN HA H 495 3.930 3.930 4.577 -0.646 17518
418 1 . 1 1 76 76 ASN C C 495 172.085 172.085 173.314 -1.229 17518
419 1 . 1 1 76 76 ASN CA C 495 54.413 54.413 53.022 1.391 17518
420 1 . 1 1 76 76 ASN CB C 495 39.048 39.048 39.310 -0.262 17518
421 1 . 1 1 76 76 ASN H H 495 8.197 8.197 7.740 0.457 17518
422 1 . 1 1 77 77 TYR N N 496 118.076 118.076 119.992 -1.916 17518
423 1 . 1 1 77 77 TYR HA H 496 4.793 4.793 4.619 0.174 17518
424 1 . 1 1 77 77 TYR C C 496 175.074 175.074 175.062 0.012 17518
425 1 . 1 1 77 77 TYR CA C 496 57.671 57.671 57.568 0.103 17518
426 1 . 1 1 77 77 TYR CB C 496 41.785 41.785 40.562 1.223 17518
427 1 . 1 1 77 77 TYR H H 496 9.133 9.133 8.703 0.430 17518
428 1 . 1 1 78 78 SER N N 497 116.400 116.400 115.497 0.903 17518
429 1 . 1 1 78 78 SER HA H 497 5.345 5.345 4.781 0.564 17518
430 1 . 1 1 78 78 SER C C 497 173.130 173.130 172.908 0.222 17518
431 1 . 1 1 78 78 SER CA C 497 57.191 57.191 56.600 0.591 17518
432 1 . 1 1 78 78 SER CB C 497 64.293 64.293 64.532 -0.239 17518
433 1 . 1 1 78 78 SER H H 497 8.204 8.204 8.145 0.059 17518
434 1 . 1 1 79 79 PHE N N 498 123.023 123.023 124.633 -1.610 17518
435 1 . 1 1 79 79 PHE HA H 498 4.810 4.810 4.892 -0.082 17518
436 1 . 1 1 79 79 PHE C C 498 175.275 175.275 174.480 0.795 17518
437 1 . 1 1 79 79 PHE CA C 498 57.007 57.007 56.424 0.583 17518
438 1 . 1 1 79 79 PHE CB C 498 42.989 42.989 43.259 -0.270 17518
439 1 . 1 1 79 79 PHE H H 498 9.054 9.054 9.246 -0.192 17518
440 1 . 1 1 80 80 SER N N 499 117.002 117.002 116.862 0.140 17518
441 1 . 1 1 80 80 SER HA H 499 4.997 4.997 4.861 0.136 17518
442 1 . 1 1 80 80 SER C C 499 173.356 173.356 174.984 -1.628 17518
443 1 . 1 1 80 80 SER CA C 499 57.357 57.357 57.227 0.130 17518
444 1 . 1 1 80 80 SER CB C 499 65.301 65.301 64.751 0.550 17518
445 1 . 1 1 80 80 SER H H 499 8.804 8.804 8.591 0.213 17518
446 1 . 1 1 81 81 THR N N 500 112.529 112.529 114.512 -1.983 17518
447 1 . 1 1 81 81 THR HA H 500 3.820 3.820 3.907 -0.087 17518
448 1 . 1 1 81 81 THR C C 500 174.378 174.378 175.295 -0.917 17518
449 1 . 1 1 81 81 THR CA C 500 64.220 64.220 63.475 0.745 17518
450 1 . 1 1 81 81 THR CB C 500 69.475 69.475 68.939 0.536 17518
451 1 . 1 1 81 81 THR H H 500 7.559 7.559 8.180 -0.621 17518
452 1 . 1 1 82 82 GLY N N 501 112.234 112.234 113.876 -1.642 17518
453 1 . 1 1 82 82 GLY C C 501 174.342 174.342 172.234 2.108 17518
454 1 . 1 1 82 82 GLY CA C 501 43.795 43.795 44.664 -0.869 17518
455 1 . 1 1 82 82 GLY H H 501 8.409 8.409 8.468 -0.059 17518
456 1 . 1 1 83 83 THR N N 502 120.411 120.411 118.004 2.407 17518
457 1 . 1 1 83 83 THR HA H 502 5.487 5.487 5.205 0.282 17518
458 1 . 1 1 83 83 THR C C 502 174.798 174.798 173.360 1.438 17518
459 1 . 1 1 83 83 THR CA C 502 62.497 62.497 60.773 1.724 17518
460 1 . 1 1 83 83 THR CB C 502 69.978 69.978 71.358 -1.380 17518
461 1 . 1 1 83 83 THR H H 502 8.729 8.729 8.133 0.596 17518
462 1 . 1 1 84 84 SER N N 503 123.023 123.023 120.933 2.090 17518
463 1 . 1 1 84 84 SER HA H 503 5.409 5.409 5.175 0.234 17518
464 1 . 1 1 84 84 SER C C 503 171.976 171.976 173.182 -1.206 17518
465 1 . 1 1 84 84 SER CA C 503 58.675 58.675 56.699 1.976 17518
466 1 . 1 1 84 84 SER CB C 503 67.607 67.607 66.327 1.280 17518
467 1 . 1 1 84 84 SER H H 503 9.121 9.121 9.133 -0.012 17518
468 1 . 1 1 85 85 THR N N 504 118.388 118.388 118.839 -0.451 17518
469 1 . 1 1 85 85 THR HA H 504 5.241 5.241 5.166 0.075 17518
470 1 . 1 1 85 85 THR C C 504 172.930 172.930 172.905 0.025 17518
471 1 . 1 1 85 85 THR CA C 504 62.672 62.672 62.262 0.410 17518
472 1 . 1 1 85 85 THR CB C 504 70.641 70.641 71.249 -0.608 17518
473 1 . 1 1 85 85 THR H H 504 9.445 9.445 8.744 0.701 17518
474 1 . 1 1 86 86 TYR N N 505 129.195 129.195 128.864 0.331 17518
475 1 . 1 1 86 86 TYR HA H 505 5.109 5.109 5.521 -0.412 17518
476 1 . 1 1 86 86 TYR C C 505 173.063 173.063 173.770 -0.707 17518
477 1 . 1 1 86 86 TYR CA C 505 57.280 57.280 55.819 1.461 17518
478 1 . 1 1 86 86 TYR CB C 505 41.660 41.660 42.075 -0.415 17518
479 1 . 1 1 86 86 TYR H H 505 9.858 9.858 9.695 0.163 17518
480 1 . 1 1 87 87 THR N N 506 124.861 124.861 123.185 1.676 17518
481 1 . 1 1 87 87 THR HA H 506 4.288 4.288 4.852 -0.564 17518
482 1 . 1 1 87 87 THR C C 506 171.472 171.472 171.836 -0.364 17518
483 1 . 1 1 87 87 THR CA C 506 58.917 58.917 58.976 -0.059 17518
484 1 . 1 1 87 87 THR CB C 506 70.055 70.055 71.166 -1.111 17518
485 1 . 1 1 87 87 THR H H 506 7.906 7.906 8.839 -0.933 17518
486 1 . 1 1 88 88 PRO HA H 507 4.006 4.006 4.583 -0.577 17518
487 1 . 1 1 88 88 PRO C C 507 176.975 176.975 176.791 0.184 17518
488 1 . 1 1 88 88 PRO CA C 507 62.998 62.998 62.479 0.519 17518
489 1 . 1 1 88 88 PRO CB C 507 32.374 32.374 32.745 -0.371 17518
490 1 . 1 1 89 89 GLY N N 508 108.823 108.823 109.809 -0.986 17518
491 1 . 1 1 89 89 GLY C C 508 173.757 173.757 173.623 0.134 17518
492 1 . 1 1 89 89 GLY CA C 508 44.078 44.078 44.439 -0.361 17518
493 1 . 1 1 89 89 GLY H H 508 8.294 8.294 8.489 -0.196 17518
494 1 . 1 1 90 90 ASN N N 509 117.850 117.850 118.246 -0.396 17518
495 1 . 1 1 90 90 ASN HA H 509 4.723 4.723 4.651 0.072 17518
496 1 . 1 1 90 90 ASN C C 509 176.078 176.078 174.677 1.401 17518
497 1 . 1 1 90 90 ASN CA C 509 52.906 52.906 53.422 -0.516 17518
498 1 . 1 1 90 90 ASN CB C 509 39.922 39.922 38.844 1.078 17518
499 1 . 1 1 90 90 ASN H H 509 8.434 8.434 8.121 0.313 17518
500 1 . 1 1 91 91 SER N N 510 114.973 114.973 116.663 -1.690 17518
501 1 . 1 1 91 91 SER HA H 510 4.133 4.133 4.217 -0.085 17518
502 1 . 1 1 91 91 SER C C 510 174.773 174.773 175.269 -0.496 17518
503 1 . 1 1 91 91 SER CA C 510 58.662 58.662 60.018 -1.356 17518
504 1 . 1 1 91 91 SER CB C 510 62.209 62.209 62.847 -0.638 17518
505 1 . 1 1 91 91 SER H H 510 8.819 8.819 8.758 0.061 17518
506 1 . 1 1 92 92 GLY N N 511 108.552 108.552 111.068 -2.516 17518
507 1 . 1 1 92 92 GLY C C 511 174.613 174.613 174.185 0.428 17518
508 1 . 1 1 92 92 GLY CA C 511 45.263 45.263 45.583 -0.319 17518
509 1 . 1 1 92 92 GLY H H 511 8.472 8.472 8.518 -0.046 17518
510 1 . 1 1 93 93 ASN N N 512 119.035 119.035 119.413 -0.378 17518
511 1 . 1 1 93 93 ASN HA H 512 4.770 4.770 4.842 -0.072 17518
512 1 . 1 1 93 93 ASN C C 512 174.627 174.627 173.920 0.707 17518
513 1 . 1 1 93 93 ASN CA C 512 52.833 52.833 52.844 -0.011 17518
514 1 . 1 1 93 93 ASN CB C 512 39.771 39.771 40.547 -0.776 17518
515 1 . 1 1 93 93 ASN H H 512 7.985 7.985 7.916 0.069 17518
516 1 . 1 1 94 94 ALA N N 513 123.854 123.854 122.682 1.172 17518
517 1 . 1 1 94 94 ALA HA H 513 4.604 4.604 4.561 0.043 17518
518 1 . 1 1 94 94 ALA C C 513 178.511 178.511 176.646 1.865 17518
519 1 . 1 1 94 94 ALA CA C 513 52.699 52.699 51.979 0.720 17518
520 1 . 1 1 94 94 ALA CB C 513 20.408 20.408 20.005 0.403 17518
521 1 . 1 1 94 94 ALA H H 513 8.442 8.442 8.419 0.023 17518
522 1 . 1 1 95 95 GLY N N 514 108.880 108.880 111.379 -2.499 17518
523 1 . 1 1 95 95 GLY C C 514 173.104 173.104 174.330 -1.226 17518
524 1 . 1 1 95 95 GLY CA C 514 44.895 44.895 45.441 -0.546 17518
525 1 . 1 1 95 95 GLY H H 514 8.353 8.353 8.431 -0.079 17518
526 1 . 1 1 96 96 THR N N 515 110.444 110.444 116.916 -6.472 17518
527 1 . 1 1 96 96 THR HA H 515 4.504 4.504 4.573 -0.069 17518
528 1 . 1 1 96 96 THR C C 515 173.214 173.214 173.854 -0.640 17518
529 1 . 1 1 96 96 THR CA C 515 60.947 60.947 61.103 -0.156 17518
530 1 . 1 1 96 96 THR CB C 515 72.111 72.111 70.503 1.608 17518
531 1 . 1 1 96 96 THR H H 515 7.839 7.839 8.534 -0.695 17518
532 1 . 1 1 97 97 ILE N N 516 126.770 126.770 124.684 2.086 17518
533 1 . 1 1 97 97 ILE HA H 516 4.971 4.971 5.277 -0.306 17518
534 1 . 1 1 97 97 ILE C C 516 176.061 176.061 175.886 0.175 17518
535 1 . 1 1 97 97 ILE CA C 516 61.045 61.045 59.634 1.411 17518
536 1 . 1 1 97 97 ILE CB C 516 40.742 40.742 41.403 -0.661 17518
537 1 . 1 1 97 97 ILE H H 516 8.733 8.733 8.444 0.289 17518
538 1 . 1 1 98 98 THR N N 517 121.307 121.307 119.789 1.518 17518
539 1 . 1 1 98 98 THR HA H 517 4.693 4.693 4.724 -0.031 17518
540 1 . 1 1 98 98 THR C C 517 173.622 173.622 173.606 0.016 17518
541 1 . 1 1 98 98 THR CA C 517 59.692 59.692 59.811 -0.119 17518
542 1 . 1 1 98 98 THR CB C 517 71.290 71.290 70.934 0.356 17518
543 1 . 1 1 98 98 THR H H 517 9.270 9.270 9.032 0.238 17518
544 1 . 1 1 99 99 SER N N 518 118.544 118.544 118.409 0.135 17518
545 1 . 1 1 99 99 SER HA H 518 4.548 4.548 4.666 -0.118 17518
546 1 . 1 1 99 99 SER C C 518 175.405 175.405 174.000 1.405 17518
547 1 . 1 1 99 99 SER CA C 518 59.662 59.662 57.890 1.772 17518
548 1 . 1 1 99 99 SER CB C 518 63.836 63.836 62.646 1.190 17518
549 1 . 1 1 99 99 SER H H 518 8.667 8.667 8.604 0.063 17518
550 1 . 1 1 100 100 GLY N N 519 113.982 113.982 111.167 2.815 17518
551 1 . 1 1 100 100 GLY C C 519 171.714 171.714 172.744 -1.030 17518
552 1 . 1 1 100 100 GLY CA C 519 44.073 44.073 44.421 -0.348 17518
553 1 . 1 1 100 100 GLY H H 519 8.443 8.443 7.536 0.907 17518
554 1 . 1 1 101 101 ALA N N 520 120.741 120.741 125.740 -4.999 17518
555 1 . 1 1 101 101 ALA HA H 520 3.607 3.607 4.641 -1.034 17518
556 1 . 1 1 101 101 ALA CA C 520 49.463 49.463 50.841 -1.378 17518
557 1 . 1 1 101 101 ALA CB C 520 18.131 18.131 19.277 -1.145 17518
558 1 . 1 1 101 101 ALA H H 520 7.908 7.908 8.228 -0.320 17518
559 1 . 1 1 102 102 PRO HA H 521 4.042 4.042 4.363 -0.321 17518
560 1 . 1 1 102 102 PRO C C 521 175.467 175.467 176.401 -0.934 17518
561 1 . 1 1 102 102 PRO CA C 521 62.698 62.698 62.722 -0.024 17518
562 1 . 1 1 102 102 PRO CB C 521 31.864 31.864 32.304 -0.440 17518
563 1 . 1 1 103 103 ALA N N 522 122.930 122.930 125.674 -2.744 17518
564 1 . 1 1 103 103 ALA HA H 522 4.113 4.113 4.427 -0.314 17518
565 1 . 1 1 103 103 ALA C C 522 177.009 177.009 177.509 -0.500 17518
566 1 . 1 1 103 103 ALA CA C 522 51.956 51.956 51.685 0.271 17518
567 1 . 1 1 103 103 ALA CB C 522 19.689 19.689 18.156 1.533 17518
568 1 . 1 1 103 103 ALA H H 522 7.993 7.993 8.424 -0.431 17518
stop_
save_